SCHEMBL2810260

SCHEMBL2810260

COCCCOc1ccccc1C=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
HPGD P15428 1/20 0.71
HTT P42858 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
PTGDR2 Q9Y5Y4 1/20 0.54
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
RAD52 P43351 1/20 0.49
MAPT P10636 2/20 0.49
SRC P12931 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL1665307 0.91 ALDH1A1 (0.81) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL5805320 0.90 ALDH1A1 (0.87) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL26355088 0.86 ALDH1A1 (0.62) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL8372730 0.86 ALDH1A1 (0.87) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL28473484 0.86 ALDH1A1 (0.72) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL28874055 0.86 ALDH1A1 (0.72) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL3446057 0.85 ALDH1A1 (0.51) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL3062055 0.85 ERN1 (0.63) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL13305834 0.84 ALDH1A1 (0.83) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL21828406 0.84 ALDH1A1 (0.83) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013084241-A1 COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2013-06-13 WO disclosed
US-8362040-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 US disclosed
WO-2012085935-A2 COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-06-28 WO disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 US disclosed
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2229388-A2 FUSED PYRIMIDINE DERIVATIVES AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2010-09-22 EP disclosed
US-7754727-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
WO-2009109987-A2 FUSED PYRIMIDINE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-09-11 WO disclosed
EP-1689712-B1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2008-10-30 US disclosed
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors SEDRANI RICHARD 2007-04-05 US disclosed
EP-1689712-A1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051911-A1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2005-06-09 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-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators TRPV3, TRPV1, TRPV5 ALDH1A1 4233/4885HPGD 1055/4885HTT 3087/4885
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE ALDH1A1 417/4885HPGD 230/4885HTT 2227/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE ALDH1A1 466/4885HPGD 232/4885HTT 1926/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE ALDH1A1 466/4885HPGD 232/4885HTT 1926/4885

“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.