SCHEMBL69435

SCHEMBL69435

O=C(NCC(=O)N1CCC(Nc2ccccc2Cl)CC1)c1cc(-c2ccccc2OCc2ccccc2)on1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.43
CNR2 P34972 5/20 0.42
ACKR3 P25106 1/20 0.42
FAAH O00519 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL68819 0.89 SCD (0.53) SCDALDH1A1HPGDKDM4EHSD17B10
SCHEMBL92194 0.89 CNR2 (0.55) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL68650 0.87 SCD (0.46) SCDKMT2AMEN1
SCHEMBL29384466 0.85 KMT2A (0.50) ALDH1A1HPGDNPC1RAB9AMAPT
SCHEMBL69611 0.85 KMT2A (0.50) ALDH1A1HPGDNPC1RAB9AMAPT
SCHEMBL29382405 0.85 ACKR3 (0.51) ALDH1A1HPGDNPC1RAB9AMAPT
SCHEMBL70424 0.85 ACKR3 (0.51) ALDH1A1HPGDNPC1RAB9AMAPT
SCHEMBL29385107 0.84 HIF1A (0.52) HPGDNPC1RAB9ALMNASMN1; SMN2
SCHEMBL69860 0.84 HIF1A (0.52) HPGDNPC1RAB9ALMNASMN1; SMN2
SCHEMBL72704 0.79 SCD (0.46) SCDALDH1A1HPGDKDM4EHSD17B10

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 3 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
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

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 SCD 1/4885ALDH1A1 784/4885HPGD 482/4885

“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.