SCHEMBL137102

SCHEMBL137102

CCOC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CN(CC)C(=O)NCc2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.55
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
CYP2C19 P33261 1/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TBXA2R P21731 2/20 0.43
PTGDR Q13258 2/20 0.43
CYP2C9 P11712 1/20 0.43
PTGIR P43119 1/20 0.43
NAMPT P43490 2/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL134864 0.92 PTGDR2 (0.65) PTGDR2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL137675 0.90 PTGDR2 (0.56) PTGDR2ALDH1A1CYP3A4TBXA2RPTGDR
SCHEMBL155846 0.90 PTGDR2 (0.70) PTGDR2CYP3A4TBXA2RPTGDRCYP2C9
SCHEMBL12900609 0.90 PTGDR2 (0.67) PTGDR2CYP3A4TBXA2RPTGDRCYP2C9
SCHEMBL137072 0.89 PTGDR2 (0.59) PTGDR2CYP3A4TBXA2RPTGDRCYP2C9
SCHEMBL137783 0.87 PTGDR2 (0.51) PTGDR2CYP3A4TBXA2RPTGDRCYP2C9
SCHEMBL136103 0.87 PTGDR2 (0.57) PTGDR2CYP3A4TBXA2RPTGDRCYP2C9
SCHEMBL137243 0.86 PTGDR2 (0.56) PTGDR2CYP3A4TBXA2RPTGDRCYP2C9
SCHEMBL137768 0.86 PTGDR2 (0.59) PTGDR2CYP3A4TBXA2RPTGDRCYP2C9
SCHEMBL134997 0.86 PTGDR2 (0.57) PTGDR2CYP3A4NPSR1TBXA2RPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 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 (3 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885ALDH1A1 2005/4885HPGD 27/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885ALDH1A1 2005/4885HPGD 27/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885ALDH1A1 2005/4885HPGD 27/4885

“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.