SCHEMBL5113624

SCHEMBL5113624

O=C(O)/C(=C\c1ccc(OCCN2CCOc3ccccc32)cc1)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
TSHR P16473 4/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRM5 P41594 1/20 0.37
PDK2 Q15119 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL5107694 1.00 KMT2A (0.42) KMT2ATSHRLMNAMAPTRXFP1
SCHEMBL5107687 1.00 KMT2A (0.42) KMT2ATSHRLMNAMAPTRXFP1
SCHEMBL5140361 0.89 MAPT (0.46) KMT2ATSHRLMNAMAPTRXFP1
SCHEMBL5107504 0.89 MAPT (0.46) KMT2ATSHRLMNAMAPTRXFP1
SCHEMBL5107495 0.89 MAPT (0.46) KMT2ATSHRLMNAMAPTRXFP1
SCHEMBL14265709 0.89 MAPT (0.43) KMT2ATSHRLMNAMAPTRXFP1
SCHEMBL14265693 0.83 MAPT (0.46) KMT2ATSHRLMNAMAPTRXFP1
SCHEMBL5107391 0.82 KMT2A (0.43) KMT2ATSHRLMNAMAPTRXFP1
SCHEMBL5138822 0.81 MAPT (0.46) KMT2ALMNAMAPTPSMB1PSMB5
SCHEMBL5138825 0.81 MAPT (0.46) KMT2ALMNAMAPTPSMB1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543194-A 2002-12-17 JP claimed
EP-1175412-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Research Foundation (IN) 2002-01-30 EP claimed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO claimed
US-7348426-B1 Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents DR. REDDY'S LABORATIES LIMITED (IN) 2008-03-25 US disclosed
EP-1175412-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Research Foundation (IN) 2002-01-30 EP disclosed
US-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION AND REDDY-CHEMINOR, INC. 2001-12-13 US disclosed
EP-1082313-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-03-14 EP disclosed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO disclosed
WO-1999020614-A1 BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-29 WO 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 (1 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-20010051619-A1 Novel bicyclic compounds and their use in medicine; process for their preparation and pharmaceutical compositions containing them CPT1A, GPR119, SLC5A1 KMT2A 4570/4885TSHR 2573/4885LMNA 664/4885

“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.