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SCHEMBL137995

SCHEMBL137995

CCN(Cc1cc(C)ccc1-c1cc(Cl)cc(CC(=O)OC)c1)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ PTGDR2 Q9Y5Y4 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTT P42858 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL137620 0.94 PTGDR2 (0.46) MAPTPTGDR2KMT2AMEN1ALDH1A1
SCHEMBL137650 0.91 PTGDR2 (0.46) MAPTPTGDR2CYP1A2CYP3A4CYP2D6
SCHEMBL135242 0.90 PTGDR2 (0.49) MAPTPTGDR2CYP3A4KMT2AMEN1
SCHEMBL150642 0.88 PTGDR2 (0.56) MAPTPTGDR2CYP3A4ALDH1A1LMNA
SCHEMBL138005 0.88 PTGDR2 (0.34) MAPTPTGDR2CYP3A4KMT2AMEN1
SCHEMBL135232 0.86 PTGDR2 (0.47) MAPTPTGDR2CYP3A4KMT2AMEN1
SCHEMBL137952 0.86 PTGDR2 (0.35) MAPTPTGDR2CYP3A4KMT2AMEN1
SCHEMBL136529 0.85 PTGDR2 (0.50) MAPTPTGDR2KMT2AMEN1ALDH1A1
SCHEMBL137479 0.83 PTGDR2 (0.48) MAPTPTGDR2KMT2AMEN1ALDH1A1
SCHEMBL156723 0.82 PTGDR2 (0.56) MAPTPTGDR2CYP3A4

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 MAPT 4866/4885PTGDR2 2/4885CYP1A2 449/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MAPT 4866/4885PTGDR2 2/4885CYP1A2 449/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MAPT 4866/4885PTGDR2 2/4885CYP1A2 449/4885

“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.