SCHEMBL70424

SCHEMBL70424

O=C(NCC(=O)N1CCC(Nc2ccccc2Cl)CC1)c1cc(-c2ccccc2F)on1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 10/20 0.51
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SCD5 Q86SK9 2/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
KLF5 Q13887 1/20 0.42
MAPT P10636 1/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL29382405 1.00 ACKR3 (0.51) ACKR3NPC1RAB9AKMT2AMEN1
SCHEMBL69611 0.90 KMT2A (0.50) NPC1RAB9AKMT2AMEN1SCD5
SCHEMBL29384466 0.90 KMT2A (0.50) NPC1RAB9AKMT2AMEN1SCD5
SCHEMBL69860 0.88 HIF1A (0.52) NPC1RAB9AKMT2ASCD5HPGD
SCHEMBL29385107 0.88 HIF1A (0.52) NPC1RAB9AKMT2ASCD5HPGD
SCHEMBL68350 0.85 KMT2A (0.41) KMT2A
SCHEMBL29385005 0.85 KMT2A (0.41) KMT2A
SCHEMBL69435 0.85 SCD (0.45) ACKR3NPC1RAB9AKMT2AMEN1
SCHEMBL92194 0.84 CNR2 (0.55) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL70754 0.78 KMT2A (0.41) NPC1RAB9AKMT2AMEN1HPGD

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
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 ACKR3 3812/4885NPC1 201/4885RAB9A 3858/4885

“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.