SCHEMBL136167

SCHEMBL136167

CCOC(=O)C(C)c1ccc(OC)c(-c2ccc(C)cc2CN(CC)C(=O)NC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 10/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTGDR Q13258 2/20 0.37
CYP3A4 P08684 1/20 0.37
TBXA2R P21731 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
SCHEMBL134900 0.92 AKR1C3 (0.41) CETPKMT2AMAPTPTGDR2NPC1
SCHEMBL150573 0.89 CETP (0.53) CETPPTGDR2PTGDRCYP3A4TBXA2R
SCHEMBL136156 0.86 PTGDR2 (0.51) CETPPTGDR2PTGDRCYP3A4
SCHEMBL135807 0.85 CETP (0.42) CETPPTGDR2PTGDRTBXA2R
SCHEMBL134862 0.83 PTGDR2 (0.48) CETPPTGDR2PTGDRCYP3A4TBXA2R
SCHEMBL137108 0.83 PTGDR2 (0.56) CETPMAPTPTGDR2PTGDRCYP3A4
SCHEMBL137099 0.81 PTGDR2 (0.58) PTGDR2PTGDRCYP3A4TBXA2R
SCHEMBL151192 0.80 CETP (0.56) CETPPTGDR2PTGDRCYP3A4TBXA2R
SCHEMBL137273 0.79 PTGDR2 (0.59) CETPPTGDR2PTGDRCYP3A4TBXA2R
SCHEMBL134884 0.78 PTGDR2 (0.54) CETPKMT2APTGDR2PTGDRCYP3A4

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 3676/4885KMT2A 4559/4885MAPT 4866/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CETP 3676/4885KMT2A 4559/4885MAPT 4866/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CETP 3676/4885KMT2A 4559/4885MAPT 4866/4885

“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.