SCHEMBL137650

SCHEMBL137650

CCN(Cc1cc(C)ccc1-c1cc(Cl)cc(CC(=O)O)c1)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.46
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TBXA2R P21731 2/20 0.39
PTGDR Q13258 2/20 0.39
CYP2C9 P11712 1/20 0.39
PTGIR P43119 1/20 0.39
HTT P42858 3/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RORC P51449 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL136529 0.94 PTGDR2 (0.50) PTGDR2MEN1KMT2AALDH1A1HTT
SCHEMBL137995 0.91 MAPT (0.43) PTGDR2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL135252 0.89 PTGDR2 (0.54) PTGDR2CYP3A4TBXA2RPTGDRCYP2C9
SCHEMBL154951 0.87 PTGDR2 (0.62) PTGDR2CYP3A4TBXA2RPTGDRCYP2C9
SCHEMBL136567 0.87 PTGS2 (0.40) PTGDR2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL137620 0.86 PTGDR2 (0.46) PTGDR2MEN1KMT2AALDH1A1HTT
SCHEMBL138142 0.85 PTGDR2 (0.48) PTGDR2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL137576 0.84 PTGDR2 (0.40) PTGDR2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL137989 0.84 PTGDR2 (0.55) PTGDR2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL135224 0.83 PTGDR2 (0.52) PTGDR2CYP3A4MEN1KMT2AALDH1A1

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 2/4885CYP3A4 882/4885CYP1A2 449/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 882/4885CYP1A2 449/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 882/4885CYP1A2 449/4885

“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.