SCHEMBL68645

SCHEMBL68645

O=C(NCC(=O)N1CCC(Nc2ccccc2Br)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.44
LDHA P00338 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL29384876 1.00 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AKMT2APOLBLDHA
SCHEMBL70191 0.90 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AKMT2APOLBLDHA
SCHEMBL68900 0.87 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AKMT2ALDHADRD2
SCHEMBL29382268 0.87 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AKMT2ALDHADRD2
SCHEMBL29381924 0.85 SCD (0.56) SMN1; SMN2RAB9AKMT2APOLBDRD2
SCHEMBL69750 0.85 SCD (0.56) SMN1; SMN2RAB9AKMT2APOLBDRD2
SCHEMBL70472 0.82 SCD (0.55) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL29384518 0.82 SCD (0.55) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL69338 0.81 HIF1A (0.52) SMN1; SMN2RAB9AKMT2ANPC1LMNA
SCHEMBL29385678 0.81 HIF1A (0.52) SMN1; SMN2RAB9AKMT2ANPC1LMNA

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 6 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-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
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 SMN1; SMN2 3937/4885RAB9A 3858/4885KMT2A 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.