SCHEMBL70877

SCHEMBL70877

Oc1ccccc1-c1[c]n[nH]c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
BCL2L1 Q07817 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DCUN1D1 Q96GG9 2/20 0.37
MAPK1 P28482 1/20 0.37
ALOX15 P16050 2/20 0.35
ADORA2A P29274 2/20 0.35
TTR P02766 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TSHR P16473 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL292783 0.77 RAB9A (0.38) IDO1SMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL979802 0.77 IDO1 (0.39) IDO1SMN1; SMN2ALDH1A1HPGDDCUN1D1
SCHEMBL9816185 0.67 ALDH1A1 (0.38) ALDH1A1HPGDMAPT
SCHEMBL1331328 0.67 KDM4E (0.50) SMN1; SMN2ALDH1A1HPGDHSD17B10MAPK1
SCHEMBL3751745 0.67 IDO1 (0.41) IDO1SMN1; SMN2ALDH1A1HPGDBCL2L1
SCHEMBL8984324 0.65 SMN1; SMN2 (0.40) IDO1SMN1; SMN2ALDH1A1HPGDBCL2L1
SCHEMBL69514 0.65 SMN1; SMN2 (0.40) IDO1SMN1; SMN2ALDH1A1HPGDBCL2L1
SCHEMBL28574 0.65 ALDH1A1 (0.67) IDO1SMN1; SMN2ALDH1A1HPGDBCL2L1
SCHEMBL29623192 0.65 ALDH1A1 (0.67) IDO1SMN1; SMN2ALDH1A1HPGDBCL2L1
SCHEMBL30442890 0.65 ALDH1A1 (0.67) IDO1SMN1; SMN2ALDH1A1HPGDBCL2L1

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 IDO1 1506/4885SMN1; SMN2 4076/4885ALDH1A1 969/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 IDO1 1386/4885SMN1; SMN2 3937/4885ALDH1A1 784/4885

“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.