SCHEMBL70613

SCHEMBL70613

COC(=O)c1cccc(OC2CCN(C(=O)CNC(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.42
SLC5A7 Q9GZV3 3/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
P2RY12 Q9H244 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PABPC1 P11940 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 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
SCHEMBL70186 0.93 SCD (0.42) SCDSLC5A7KMT2AMEN1P2RY12
SCHEMBL69558 0.89 EPHX2 (0.47) SCDKMT2AP2RY12SMN1; SMN2POLB
SCHEMBL29385670 0.89 EPHX2 (0.47) SCDKMT2AP2RY12SMN1; SMN2POLB
SCHEMBL69931 0.87 EPHX2 (0.47) SCDP2RY12
SCHEMBL70650 0.87 TDP1 (0.45) SCDKMT2AP2RY12TDP1POLB
SCHEMBL70064 0.87 EPHX2 (0.47) SCDP2RY12TNKS
SCHEMBL29382083 0.85 EPHX2 (0.49) SCDKMT2AMEN1
SCHEMBL68443 0.85 EPHX2 (0.49) SCDKMT2AMEN1
SCHEMBL70664 0.85 SCD (0.46) SCDKMT2AP2RY12SMN1; SMN2POLB
SCHEMBL69386 0.83 SCD (0.41) SCDKMT2AP2RY12SMN1; SMN2POLB

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 1/4885SLC5A7 2609/4885KMT2A 1352/4885

“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.