SCHEMBL68333

SCHEMBL68333

N#Cc1cccc(OC2CCN(C(=O)CNC(=O)c3cn(-c4cccnc4)nn3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.49
EPHX2 P34913 1/20 0.45
GPR6 P46095 2/20 0.43
HRH1 P35367 1/20 0.39
CCR3 P51677 1/20 0.39
MGLL Q99685 1/20 0.39
VCP P55072 1/20 0.39
SCD O00767 3/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
MDM2 Q00987 1/20 0.37
NAMPT P43490 1/20 0.37
CNR1 P21554 1/20 0.37
NOTUM Q6P988 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
SCHEMBL29385527 1.00 USP30 (0.49) USP30EPHX2GPR6HRH1CCR3
SCHEMBL69976 0.91 USP30 (0.53) USP30EPHX2GPR6HRH1CCR3
SCHEMBL29384706 0.87 USP30 (0.44) USP30GPR6SCDGPR119
SCHEMBL70155 0.87 USP30 (0.44) USP30GPR6SCDGPR119
SCHEMBL83265 0.85 USP30 (0.52) USP30EPHX2HRH1CCR3GPR119
SCHEMBL71353 0.82 SCD (0.45) SCDGRIN1GRIN2BGPR119NAMPT
SCHEMBL29384233 0.82 SCD (0.45) SCDGRIN1GRIN2BGPR119NAMPT
SCHEMBL70415 0.81 SCD (0.41) SCDGPR119
SCHEMBL29382077 0.81 SCD (0.41) SCDGPR119
SCHEMBL70228 0.80 SCD (0.57) SCD

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 5 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
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 USP30 1476/4885EPHX2 1023/4885GPR6 3034/4885

“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.