SCHEMBL137381

SCHEMBL137381

CCN(Cc1cc(C)ccc1-c1cc([C@@H](C)C(=O)O)cc(C(F)(F)F)c1)C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.50
AKR1C3 P42330 5/20 0.40
AKR1C2 P52895 5/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FAAH O00519 1/20 0.38
CETP P11597 3/20 0.38
TACR1 P25103 3/20 0.38
CCR2 P41597 1/20 0.37
MTTP P55157 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
NNMT P40261 1/20 0.37
RORC P51449 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
SCHEMBL137079 1.00 PTGDR2 (0.50) PTGDR2AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL153551 0.93 PTGDR2 (0.57) PTGDR2AKR1C3AKR1C2FAAHCETP
SCHEMBL3430996 0.93 PTGDR2 (0.57) PTGDR2AKR1C3AKR1C2FAAHCETP
SCHEMBL157896 0.93 PTGDR2 (0.57) PTGDR2AKR1C3AKR1C2FAAHCETP
SCHEMBL135950 0.93 PTGDR2 (0.52) PTGDR2AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL137388 0.93 PTGDR2 (0.52) PTGDR2AKR1C3AKR1C2KDM4EALDH1A1
SCHEMBL137378 0.90 PTGDR2 (0.46) PTGDR2KDM4EALDH1A1HTTHSD17B10
SCHEMBL136935 0.90 PTGDR2 (0.46) PTGDR2KDM4EALDH1A1HTTHSD17B10
SCHEMBL138171 0.87 ALDH1A1 (0.43) PTGDR2KDM4EALDH1A1HTTHSD17B10
SCHEMBL153649 0.86 PTGDR2 (0.59) PTGDR2CETP

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 2/4885AKR1C3 1005/4885AKR1C2 1034/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885AKR1C3 1005/4885AKR1C2 1034/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885AKR1C3 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.