Sugi Predict

Sugi Predict / Compounds / SCHEMBL1928574

SCHEMBL1928574

SCHEMBL1928574

CCCCCC[C@@H](NC1CCCCC1)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38
▸ TACR3 P29371 1/20 0.38
▸ ADORA3 P0DMS8 4/20 0.36
▸ ADORA2A P29274 4/20 0.35
▸ ADORA1 P30542 4/20 0.35
▸ NR5A2 O00482 1/20 0.35
▸ NR5A1 Q13285 1/20 0.35
▸ CNR1 P21554 5/20 0.35
▸ CNR2 P34972 5/20 0.35
▸ CTSK P43235 1/20 0.35
▸ ADORA2B P29275 2/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ TYRO3 Q06418 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ GAS6 Q14393 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1928570 1.00 NPC1 (0.38) NPC1RAB9ACDC7DBF4TACR3
SCHEMBL27564524 1.00 NPC1 (0.38) NPC1RAB9ACDC7DBF4TACR3
SCHEMBL27584493 0.99 TACR3 (0.38) NPC1RAB9ACDC7DBF4TACR3
SCHEMBL1928473 0.99 TACR3 (0.38) NPC1RAB9ACDC7DBF4TACR3
SCHEMBL1928472 0.99 TACR3 (0.38) NPC1RAB9ACDC7DBF4TACR3
SCHEMBL1928841 0.98 NPC1 (0.37) NPC1RAB9ACDC7DBF4TACR3
SCHEMBL27564451 0.98 NPC1 (0.37) NPC1RAB9ACDC7DBF4TACR3
SCHEMBL1928842 0.98 NPC1 (0.37) NPC1RAB9ACDC7DBF4TACR3
SCHEMBL1927880 0.97 TACR3 (0.38) NPC1RAB9ACDC7DBF4TACR3
SCHEMBL1927884 0.97 TACR3 (0.38) NPC1RAB9ACDC7DBF4TACR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566734-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-07-28 — — US claimed
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments LASSAUNIERE PIERRE-ETIENNE CHA 2008-06-19 — — US claimed
EP-1305294-B1 IMIDAZOLYL DERIVATIVES SOD CONSEILS RECH APPLIC (FR) 2007-04-25 — — EP claimed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 — — US claimed
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 — — US claimed
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-08 — — US claimed
EP-1228760-A2 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-07 — — EP claimed
EP-1223933-A2 5-MEMBERED HETEROCYCLE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-24 — — EP claimed
WO-2001026656-A2 5-MEMBERED HETEROCYCLE DERIVATIVES AND USE THEREOF AS MONOAMINE OXIDASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-04-19 — — WO claimed
EP-1589007-B1 5-membered heterocycle derivatives, production thereof and their use as medicaments IPSEN PHARMA (FR) 2015-06-03 — — EP disclosed
US-8288560-B2 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2012-10-16 — — US disclosed
EP-1228760-B1 5-membered heterocycle derivatives, production thereof and use thereof as medicaments IPSEN PHARMA (FR) 2011-08-31 — — EP disclosed
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS IPSEN PHARMA S.A.S. (FR) 2011-07-14 — — US disclosed
US-7956075-B2 Thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives, e.g., butyl 2-(4-[1,1'-biphenyl]-4-yl-1H-imidazol-2-yl)ethylcarbamate inhibit lipidic peroxidation and monoamine oxidase and modulate sodium channels and are used for treating neurodegenerative disorders or pain. IPSEN PHARMA S.A.S. (FR) 2011-06-07 — — US disclosed
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2007-08-02 — — US disclosed
EP-1305294-B1 IMIDAZOLYL DERIVATIVES SOD CONSEILS RECH APPLIC (FR) 2007-04-25 — — EP disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 — — US disclosed
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 — — US disclosed
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-08 — — US disclosed
EP-1228760-A2 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-07 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070179153-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, SDHA NPC1 3292/4885RAB9A 758/4885CDC7 3739/4885
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 NPC1 1240/4885RAB9A 3731/4885CDC7 1578/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 NPC1 598/4885RAB9A 3035/4885CDC7 2926/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 NPC1 1182/4885RAB9A 3889/4885CDC7 1768/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 NPC1 1385/4885RAB9A 3477/4885CDC7 1645/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR NPC1 434/4885RAB9A 2756/4885CDC7 2289/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.