SCHEMBL70773

SCHEMBL70773

O=C(NCC(=O)N1CCC(Nc2ccccc2Br)CC1)c1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
SCD O00767 2/20 0.37
KDM5B Q9UGL1 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM5A P29375 2/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL69043 0.89 P2RY12 (0.44) P2RY12SMN1; SMN2SCDKDM5BFLT3
SCHEMBL70832 0.89 SCD (0.43) P2RY12SMN1; SMN2SCDKDM5A
SCHEMBL29384715 0.89 P2RY12 (0.44) P2RY12SMN1; SMN2SCDKDM5BFLT3
SCHEMBL69470 0.87 SCD (0.44) P2RY12SMN1; SMN2SCDKDM5BKDM5A
SCHEMBL29384862 0.87 P2RY12 (0.44) P2RY12SMN1; SMN2SCDKDM5A
SCHEMBL69114 0.87 P2RY12 (0.44) P2RY12SMN1; SMN2SCDKDM5A
SCHEMBL69533 0.85 P2RY12 (0.43) P2RY12SMN1; SMN2KDM5BFLT3
SCHEMBL69628 0.85 FLT3 (0.41) P2RY12SMN1; SMN2FLT3
SCHEMBL29381941 0.85 P2RY12 (0.43) P2RY12SMN1; SMN2KDM5BFLT3
SCHEMBL29384699 0.85 FLT3 (0.41) P2RY12SMN1; SMN2FLT3

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
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP 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 3918/4885SMN1; SMN2 3937/4885SCD 1/4885

“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.