SCHEMBL68819

SCHEMBL68819

O=C(NCC(=O)N1CCC(Oc2ccccc2Cl)CC1)c1cc(-c2ccccc2OCc2ccccc2)on1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 0.53
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL69435 0.89 SCD (0.45) SCDALDH1A1HPGDKDM4ENPSR1
SCHEMBL92587 0.88 CNR2 (0.55) SCD
SCHEMBL69528 0.88 SCD (0.54) SCDALDH1A1HPGDNPC1RAB9A
SCHEMBL29384994 0.88 SCD (0.54) SCDALDH1A1HPGDNPC1RAB9A
SCHEMBL70227 0.87 SCD (0.55) SCD
SCHEMBL72704 0.84 SCD (0.46) SCDALDH1A1HPGDKDM4ENPSR1
SCHEMBL70828 0.79 HPGD (0.64) ALDH1A1HPGDKDM4ENPSR1HSD17B10
SCHEMBL92194 0.78 CNR2 (0.55) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL1223259 0.77 SCD (0.47) SCDALDH1A1HPGDKDM4ENPSR1
SCHEMBL70597 0.76 SCD5 (0.54) SCDHPGDNPC1LMNARAB9A

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.