SCHEMBL138036

SCHEMBL138036

CCOC(=O)Cc1cc(-c2ccc(C)cc2CN(CC)C(C)=O)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.44
GPBAR1 Q8TDU6 2/20 0.42
PTGDR2 Q9Y5Y4 9/20 0.38
TBXA2R P21731 3/20 0.38
PTGDR Q13258 3/20 0.38
DHFR P00374 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
PTGIR P43119 2/20 0.37
TACR1 P25103 1/20 0.36

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
SCHEMBL150996 0.93 CETP (0.45) CETPGPBAR1PTGDR2TBXA2RPTGDR
SCHEMBL136518 0.92 CETP (0.47) CETPGPBAR1PTGDR2TBXA2RPTGDR
SCHEMBL137601 0.89 GPBAR1 (0.46) CETPGPBAR1PTGDR2TBXA2RPTGDR
SCHEMBL137688 0.88 PTGDR2 (0.50) PTGDR2
SCHEMBL138066 0.86 PTGDR2 (0.53) CETPGPBAR1PTGDR2TBXA2RPTGDR
SCHEMBL138021 0.85 MAPT (0.35) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL150845 0.85 PTGDR2 (0.49) CETPPTGDR2TBXA2RPTGDRDHFR
SCHEMBL153321 0.84 PTGDR2 (0.49) CETPGPBAR1PTGDR2TBXA2RPTGDR
SCHEMBL137375 0.83 CETP (0.45) CETPGPBAR1PTGDR2TBXA2RPTGDR
SCHEMBL136568 0.82 CETP (0.40) CETPGPBAR1PTGDR2TBXA2RPTGDR

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 CETP 3676/4885GPBAR1 45/4885PTGDR2 2/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CETP 3676/4885GPBAR1 45/4885PTGDR2 2/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CETP 3676/4885GPBAR1 45/4885PTGDR2 2/4885

“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.