SCHEMBL92215

SCHEMBL92215

CCCCOc1cccc(-c2cc(C(=O)NCC(=O)N3CCC(Nc4ccccc4Cl)CC3)n[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.39
P2RY12 Q9H244 8/20 0.39
CACNA1B Q00975 2/20 0.38
EPHX2 P34913 1/20 0.38
SCD O00767 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC5A1 P13866 1/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL69761 0.89 SCD (0.42) P2RY12CACNA1BSCDKMT2AKIT
SCHEMBL92228 0.87 P2RY12 (0.41) P2RY12EPHX2SCDKMT2A
SCHEMBL70788 0.86 KMT2A (0.40) CYP2D6P2RY12EPHX2SCDKMT2A
SCHEMBL29384497 0.86 KMT2A (0.40) CYP2D6P2RY12EPHX2SCDKMT2A
SCHEMBL70832 0.86 SCD (0.43) P2RY12EPHX2SCDKMT2AKIT
SCHEMBL68601 0.85 KMT2A (0.40) P2RY12EPHX2SCDKMT2A
SCHEMBL29385018 0.85 KMT2A (0.40) P2RY12EPHX2SCDKMT2A
SCHEMBL69476 0.82 KMT2A (0.41) P2RY12EPHX2SCDKMT2A
SCHEMBL29384702 0.82 KMT2A (0.41) P2RY12EPHX2SCDKMT2A
SCHEMBL69930 0.80 SCD (0.43) P2RY12EPHX2SCDMEN1KMT2A

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 CYP2D6 2464/4885P2RY12 3918/4885CACNA1B 2592/4885

“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.