SCHEMBL69043

SCHEMBL69043

Cc1ccccc1NC1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)[nH]n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 11/20 0.44
EPHX2 P34913 1/20 0.42
FLT3 P36888 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SCD O00767 1/20 0.39
KDM5B Q9UGL1 1/20 0.38
MAPK1 P28482 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
SCHEMBL29384715 1.00 P2RY12 (0.44) P2RY12EPHX2FLT3SMN1; SMN2SCD
SCHEMBL29384862 0.94 P2RY12 (0.44) P2RY12EPHX2SMN1; SMN2SCD
SCHEMBL69114 0.94 P2RY12 (0.44) P2RY12EPHX2SMN1; SMN2SCD
SCHEMBL69533 0.92 P2RY12 (0.43) P2RY12FLT3SMN1; SMN2KDM5B
SCHEMBL29381941 0.92 P2RY12 (0.43) P2RY12FLT3SMN1; SMN2KDM5B
SCHEMBL69912 0.92 P2RY12 (0.43) P2RY12FLT3SMN1; SMN2
SCHEMBL13708712 0.91 P2RY12 (0.42) P2RY12EPHX2FLT3SMN1; SMN2SCD
SCHEMBL70832 0.89 SCD (0.43) P2RY12EPHX2SMN1; SMN2SCD
SCHEMBL70773 0.89 P2RY12 (0.41) P2RY12FLT3SMN1; SMN2SCDKDM5B
SCHEMBL69470 0.89 SCD (0.44) P2RY12FLT3SMN1; SMN2SCDKDM5B

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 P2RY12 3918/4885EPHX2 1023/4885FLT3 4290/4885

“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.