SCHEMBL69514

SCHEMBL69514

Oc1ccccc1-c1[c]noc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
BCL2L1 Q07817 1/20 0.39
CASP3 P42574 4/20 0.38
SENP8 Q96LD8 4/20 0.38
SENP7 Q9BQF6 4/20 0.38
SENP6 Q9GZR1 4/20 0.38
MAPK1 P28482 1/20 0.37
IDO1 P14902 4/20 0.36
CHUK O15111 1/20 0.35
TXNRD1 Q16881 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
TTR P02766 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL2821209 0.77 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HPGDHSD17B10IDO1
SCHEMBL17540870 0.73 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDHSD17B10MAPK1
SCHEMBL4723044 0.70 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1HPGDHSD17B10MAPK1
SCHEMBL8585255 0.67 CHRM2 (0.36) SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL3751745 0.67 IDO1 (0.41) SMN1; SMN2ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL70877 0.65 IDO1 (0.40) SMN1; SMN2ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL8984324 0.65 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL28574 0.65 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL29623192 0.65 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL30442890 0.65 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1HPGDHSD17B10BCL2L1

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 10 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-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 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-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US 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-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO 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 (4 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SMN1; SMN2 4076/4885ALDH1A1 969/4885HPGD 503/4885
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SMN1; SMN2 4076/4885ALDH1A1 969/4885HPGD 503/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SMN1; SMN2 3937/4885ALDH1A1 784/4885HPGD 482/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SMN1; SMN2 4076/4885ALDH1A1 969/4885HPGD 503/4885

“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.