SCHEMBL92558

SCHEMBL92558

O=C(NCC(=O)N1CCC(Nc2ccccc2Cl)CC1)C1=NOC(c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.41
SCD O00767 3/20 0.40
FAAH O00519 2/20 0.40
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.37
CCR2 P41597 2/20 0.37
EGLN1 Q9GZT9 2/20 0.37
JUN P05412 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
LDHA P00338 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
SCHEMBL92583 0.89 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2SCDFAAHRAB9A
SCHEMBL92443 0.87 SCD (0.52) SMN1; SMN2SCDCCR2
SCHEMBL91602 0.82 KMT2A (0.43) KMT2ASMN1; SMN2EPHX2SCDFAAH
SCHEMBL91497 0.78 SCD (0.51) SMN1; SMN2SCD
SCHEMBL29382268 0.77 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2EPHX2SCDRAB9A
SCHEMBL68900 0.77 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2EPHX2SCDRAB9A
SCHEMBL69860 0.75 HIF1A (0.52) KMT2ASMN1; SMN2FAAHRAB9ALMNA
SCHEMBL29385107 0.75 HIF1A (0.52) KMT2ASMN1; SMN2FAAHRAB9ALMNA
SCHEMBL68919 0.75 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2EPHX2SCDRAB9A
SCHEMBL92437 0.75 CCR2 (0.40) KMT2ASMN1; SMN2FAAHRAB9ALMNA

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 2 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
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 KMT2A 1352/4885SMN1; SMN2 3937/4885EPHX2 1023/4885

“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.