SCHEMBL136568

SCHEMBL136568

CCOC(=O)C(C)c1cc(-c2ccc(C)cc2CN(CC)C(C)=O)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.40
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
CTSA P10619 5/20 0.38
GPBAR1 Q8TDU6 2/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.36
TBXA2R P21731 1/20 0.34
PTGDR Q13258 1/20 0.34

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
SCHEMBL153591 0.93 PTGDR2 (0.42) CETPAKR1C3AKR1C2GPBAR1PTGDR2
SCHEMBL138045 0.90 AKR1C3 (0.46) CETPAKR1C3AKR1C2CTSAGPBAR1
SCHEMBL13745897 0.89 PTGDR2 (0.41) CETPAKR1C3AKR1C2PTGDR2TBXA2R
SCHEMBL135271 0.88 PTGDR2 (0.47) PTGDR2
SCHEMBL137674 0.85 CTSA (0.37) AKR1C3AKR1C2CTSA
SCHEMBL151825 0.85 PTGDR2 (0.42) CETPAKR1C3AKR1C2GPBAR1PTGDR2
SCHEMBL154195 0.82 AKR1C3 (0.47) CETPAKR1C3AKR1C2GPBAR1PTGDR2
SCHEMBL138036 0.82 CETP (0.44) CETPGPBAR1PTGDR2TBXA2RPTGDR
SCHEMBL153528 0.81 PTGDR2 (0.52) PTGDR2
SCHEMBL135950 0.79 PTGDR2 (0.52) CETPAKR1C3AKR1C2CTSAGPBAR1

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 3676/4885AKR1C3 1005/4885AKR1C2 1034/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CETP 3676/4885AKR1C3 1005/4885AKR1C2 1034/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CETP 3676/4885AKR1C3 1005/4885AKR1C2 1034/4885

“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.