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Sugi Predict / Compounds / SCHEMBL137378

SCHEMBL137378

SCHEMBL137378

CCN(Cc1cc(C)ccc1-c1cc([C@@H](C)C(=O)N[C@H](C)Cc2ccccc2)cc(C(F)(F)F)c1)C(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CCR2 P41597 2/20 0.36
▸ MTTP P55157 1/20 0.35
▸ CETP P11597 1/20 0.35
▸ TACR1 P25103 2/20 0.35
▸ KLKB1 P03952 1/20 0.34
▸ DGAT2 Q96PD7 2/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ NNMT P40261 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
SCHEMBL136935 1.00 PTGDR2 (0.46) PTGDR2KDM4EALDH1A1HTTHSD17B10
SCHEMBL154835 0.94 PTGDR2 (0.53) PTGDR2CCR2MTTPCETPTACR1
SCHEMBL153909 0.94 PTGDR2 (0.53) PTGDR2CCR2MTTPCETPTACR1
SCHEMBL137381 0.90 PTGDR2 (0.50) PTGDR2KDM4EALDH1A1HTTHSD17B10
SCHEMBL137079 0.90 PTGDR2 (0.50) PTGDR2KDM4EALDH1A1HTTHSD17B10
SCHEMBL135950 0.88 PTGDR2 (0.52) PTGDR2KDM4EALDH1A1HTTHSD17B10
SCHEMBL137388 0.88 PTGDR2 (0.52) PTGDR2KDM4EALDH1A1HTTHSD17B10
SCHEMBL3430996 0.83 PTGDR2 (0.57) PTGDR2CCR2MTTPCETP
SCHEMBL157896 0.83 PTGDR2 (0.57) PTGDR2CCR2MTTPCETP
SCHEMBL153551 0.83 PTGDR2 (0.57) PTGDR2CCR2MTTPCETP

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 2/4885KDM4E 4789/4885ALDH1A1 2005/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885KDM4E 4789/4885ALDH1A1 2005/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885KDM4E 4789/4885ALDH1A1 2005/4885

“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.