SCHEMBL1928841

SCHEMBL1928841

CCCCCCC(NC1CCCCC1)c1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TACR3 P29371 1/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
ADORA3 P0DMS8 4/20 0.35
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
CNR2 P34972 6/20 0.34
CNR1 P21554 5/20 0.34
NR5A2 O00482 1/20 0.34
NR5A1 Q13285 1/20 0.34
CTSK P43235 1/20 0.34
ADORA2B P29275 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
SCHEMBL1928842 1.00 NPC1 (0.37) NPC1RAB9ATACR3CDC7DBF4
SCHEMBL27564451 1.00 NPC1 (0.37) NPC1RAB9ATACR3CDC7DBF4
SCHEMBL1928570 0.98 NPC1 (0.38) NPC1RAB9ATACR3CDC7DBF4
SCHEMBL1928574 0.98 NPC1 (0.38) NPC1RAB9ATACR3CDC7DBF4
SCHEMBL27564524 0.98 NPC1 (0.38) NPC1RAB9ATACR3CDC7DBF4
SCHEMBL1928473 0.97 TACR3 (0.38) NPC1RAB9ATACR3CDC7DBF4
SCHEMBL27584493 0.97 TACR3 (0.38) NPC1RAB9ATACR3CDC7DBF4
SCHEMBL1928472 0.97 TACR3 (0.38) NPC1RAB9ATACR3CDC7DBF4
SCHEMBL1927880 0.95 TACR3 (0.38) NPC1RAB9ATACR3CDC7DBF4
SCHEMBL1927884 0.95 TACR3 (0.38) NPC1RAB9ATACR3CDC7DBF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228760-B1 5-membered heterocycle derivatives, production thereof and use thereof as medicaments IPSEN PHARMA (FR) 2011-08-31 EP claimed
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
CN-1391474-A 5-membered heterocyclic derivatives, their preparation and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2003-01-15 CN 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-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
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-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SCRAS 2007-01-25 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-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, COMT NPC1 3910/4885RAB9A 755/4885TACR3 2671/4885
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 NPC1 1240/4885RAB9A 3731/4885TACR3 758/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 NPC1 598/4885RAB9A 3035/4885TACR3 1567/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 NPC1 1182/4885RAB9A 3889/4885TACR3 863/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 NPC1 1385/4885RAB9A 3477/4885TACR3 670/4885
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 2756/4885TACR3 169/4885

“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.