SCHEMBL70832

SCHEMBL70832

O=C(NCC(=O)N1CCC(Nc2ccccc2Cl)CC1)c1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.41
P2RY12 Q9H244 4/20 0.41
PAK1 Q13153 1/20 0.40
KDM5A P29375 1/20 0.39
JUN P05412 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL69476 0.94 KMT2A (0.41) SCDKMT2ASMN1; SMN2EPHX2P2RY12
SCHEMBL29384702 0.94 KMT2A (0.41) SCDKMT2ASMN1; SMN2EPHX2P2RY12
SCHEMBL29385018 0.92 KMT2A (0.40) SCDKMT2ASMN1; SMN2EPHX2P2RY12
SCHEMBL68601 0.92 KMT2A (0.40) SCDKMT2ASMN1; SMN2EPHX2P2RY12
SCHEMBL29384497 0.92 KMT2A (0.40) SCDKMT2ASMN1; SMN2EPHX2P2RY12
SCHEMBL70788 0.92 KMT2A (0.40) SCDKMT2ASMN1; SMN2EPHX2P2RY12
SCHEMBL69043 0.89 P2RY12 (0.44) SCDSMN1; SMN2EPHX2P2RY12
SCHEMBL29384715 0.89 P2RY12 (0.44) SCDSMN1; SMN2EPHX2P2RY12
SCHEMBL70773 0.89 P2RY12 (0.41) SCDSMN1; SMN2P2RY12KDM5A
SCHEMBL70754 0.89 KMT2A (0.41) SCDKMT2ASMN1; SMN2EPHX2PAK1

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 4 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
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP 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 SCD 1/4885KMT2A 1352/4885SMN1; SMN2 3937/4885

“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.