SCHEMBL92228

SCHEMBL92228

CCCCOc1ccccc1-c1cc(C(=O)NCC(=O)N2CCC(Nc3ccccc3Cl)CC2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.41
SCD O00767 4/20 0.41
CNR2 P34972 5/20 0.40
KDM5A P29375 2/20 0.40
FAAH O00519 2/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL69930 0.90 SCD (0.43) P2RY12SCDKDM5AKMT2AEPHX2
SCHEMBL29385122 0.90 SCD (0.43) P2RY12SCDKDM5AKMT2AEPHX2
SCHEMBL13708721 0.89 SCD (0.51) SCD
SCHEMBL68650 0.89 SCD (0.46) SCDKDM5AKMT2A
SCHEMBL92194 0.87 CNR2 (0.55) P2RY12CNR2FAAH
SCHEMBL92215 0.87 CYP2D6 (0.39) P2RY12SCDKMT2AEPHX2
SCHEMBL29385518 0.85 KMT2A (0.41) SCDKDM5AKMT2AEPHX2
SCHEMBL70754 0.85 KMT2A (0.41) SCDKDM5AKMT2AEPHX2
SCHEMBL29385005 0.84 KMT2A (0.41) SCDKDM5AKMT2AEPHX2
SCHEMBL68350 0.84 KMT2A (0.41) SCDKDM5AKMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 P2RY12 3918/4885SCD 1/4885CNR2 595/4885

“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.