SCHEMBL2346643

SCHEMBL2346643

O=C(O)N[C@@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 3/20 0.54
SSTR3 P32745 4/20 0.52
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
ACE P12821 1/20 0.48
SSTR5 P35346 1/20 0.47
ITGB2 P05107 2/20 0.47
ICAM1 P05362 2/20 0.47
ITGAL P20701 2/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NT5E P21589 1/20 0.46
TACR1 P25103 2/20 0.46
KDM4E B2RXH2 1/20 0.46
APAF1 O14727 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL27564726 0.87 SSTR3 (0.71) SSTR1SSTR3ACESMN1; SMN2TACR1
SCHEMBL27564464 0.83 SSTR1 (0.47) SSTR1SSTR3NT5EKDM4E
SCHEMBL1928815 0.83 SSTR1 (0.47) SSTR1SSTR3NT5EKDM4E
SCHEMBL2342532 0.82 SSTR3 (0.52) SSTR1SSTR3ACESSTR5ITGB2
SCHEMBL27577264 0.80 SSTR1 (0.63) SSTR1SSTR3SSTR5SMN1; SMN2NT5E
SCHEMBL1927159 0.80 SSTR1 (0.63) SSTR1SSTR3SSTR5SMN1; SMN2NT5E
SCHEMBL1927543 0.77 SSTR3 (0.45) SSTR1SSTR3ACEALOX15SMN1; SMN2
SCHEMBL4932013 0.77 KDM4E (0.55) SMN1; SMN2TACR1KDM4EMAPT
SCHEMBL2346474 0.77 KDM4E (0.55) SMN1; SMN2TACR1KDM4EMAPT
SCHEMBL7417802 0.77 SMN1; SMN2 (0.51) SSTR1SSTR3ACEITGB2ICAM1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments LASSAUNIERE PIERRE-ETIENNE CHA 2008-06-19 US disclosed
US-7291641-B2 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) 2007-11-06 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 (3 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-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 SSTR1 1981/4885SSTR3 1662/4885MMP1 3870/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 SSTR1 1927/4885SSTR3 2322/4885MMP1 3632/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 SSTR1 2451/4885SSTR3 1999/4885MMP1 3730/4885

“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.