SCHEMBL137493

SCHEMBL137493

CCN(Cc1cc(C)ccc1Br)C(=O)OCc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
TBXA2R P21731 2/20 0.47
PTGIR P43119 2/20 0.47
PTGDR Q13258 2/20 0.47
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
CCR5 P51681 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 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
SCHEMBL135235 0.89 PTGDR2 (0.50) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL12893455 0.89 PTGDR2 (0.49) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL152578 0.84 PTGDR2 (0.65) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL12197430 0.81 TRPM8 (0.47) PTGDR2ALDH1A1FFAR4MEN1MAPK1
SCHEMBL136538 0.81 PTGDR2 (0.42) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL3252019 0.80 CYP3A4 (0.47) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL136551 0.80 CYP1A2 (0.46) CYP3A4ALDH1A1RAB9AMEN1HTT
SCHEMBL137989 0.79 PTGDR2 (0.55) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL137490 0.78 PTGDR2 (0.78) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL135232 0.78 PTGDR2 (0.47) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR

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 882/4885CYP2C9 690/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 882/4885CYP2C9 690/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 882/4885CYP2C9 690/4885

“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.