SCHEMBL68900

SCHEMBL68900

O=C(NCC(=O)N1CCC(Nc2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 3/20 0.49
EPHX2 P34913 1/20 0.47
RAB9A P51151 2/20 0.47
HIF1A Q16665 1/20 0.46
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
SCD O00767 1/20 0.44
DRD3 P35462 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
LDHA P00338 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL29382268 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AEPHX2RAB9AHIF1A
SCHEMBL68919 0.90 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AEPHX2RAB9ASCD
SCHEMBL29384876 0.87 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ARAB9ADRD2DRD4
SCHEMBL68645 0.87 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ARAB9ADRD2DRD4
SCHEMBL29381924 0.85 SCD (0.56) SMN1; SMN2KMT2AEPHX2RAB9ADRD2
SCHEMBL69750 0.85 SCD (0.56) SMN1; SMN2KMT2AEPHX2RAB9ADRD2
SCHEMBL70695 0.82 GRM5 (0.45) SMN1; SMN2KMT2AEPHX2SCDMAPT
SCHEMBL69860 0.81 HIF1A (0.52) SMN1; SMN2KMT2ARAB9AHIF1ALMNA
SCHEMBL29385107 0.81 HIF1A (0.52) SMN1; SMN2KMT2ARAB9AHIF1ALMNA
SCHEMBL70832 0.81 SCD (0.43) SMN1; SMN2KMT2AEPHX2SCD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP claimed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
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
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO 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 SMN1; SMN2 3937/4885KMT2A 1352/4885EPHX2 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.