SCHEMBL69708

SCHEMBL69708

CN(c1ccccc1Br)C1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.50
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.44
SCD5 Q86SK9 4/20 0.44
S1PR1 P21453 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPK1 P28482 1/20 0.42
FAAH O00519 1/20 0.42
SCD O00767 1/20 0.42
USP30 Q70CQ3 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
SCHEMBL29382088 1.00 HIF1A (0.50) HIF1ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL69191 0.88 SCD5 (0.52) HIF1ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL29385676 0.88 SCD5 (0.52) HIF1ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL69742 0.82 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2KMT2ALMNAHPGD
SCHEMBL29384697 0.82 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2KMT2ALMNAHPGD
SCHEMBL29385678 0.82 HIF1A (0.52) HIF1ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL69338 0.82 HIF1A (0.52) HIF1ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL70597 0.81 SCD5 (0.54) HIF1ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL29385533 0.81 SCD5 (0.54) HIF1ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL92437 0.76 CCR2 (0.40) RAB9ASMN1; SMN2KMT2ALMNAFAAH

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 HIF1A 1520/4885RAB9A 3858/4885NPC1 201/4885

“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.