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SCHEMBL138171

SCHEMBL138171

CCN(Cc1cc(C)ccc1-c1cc(Cl)cc(C(C)C(=O)O)c1)C(=O)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ PTGDR2 Q9Y5Y4 2/20 0.41
▸ APP P05067 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RORC P51449 4/20 0.37
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALOX12 P18054 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
SCHEMBL155300 0.88 PTGDR2 (0.55) PTGDR2APPFAAHRORC
SCHEMBL137381 0.87 PTGDR2 (0.50) ALDH1A1KDM4EHSD17B10HTTPTGDR2
SCHEMBL137079 0.87 PTGDR2 (0.50) ALDH1A1KDM4EHSD17B10HTTPTGDR2
SCHEMBL136529 0.84 PTGDR2 (0.50) ALDH1A1KDM4EHSD17B10HTTPTGDR2
SCHEMBL137524 0.84 APP (0.45) APPKMT2ATSHRMEN1MAPT
SCHEMBL137620 0.82 PTGDR2 (0.46) ALDH1A1KDM4EHSD17B10HTTPTGDR2
SCHEMBL137388 0.80 PTGDR2 (0.52) ALDH1A1KDM4EHSD17B10HTTPTGDR2
SCHEMBL135950 0.80 PTGDR2 (0.52) ALDH1A1KDM4EHSD17B10HTTPTGDR2
SCHEMBL138027 0.80 PTGDR2 (0.43) ALDH1A1PTGDR2APPGAALMNA
SCHEMBL137111 0.80 PTGDR2 (0.57) HTTPTGDR2FAAHMAPTNPSR1

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 ALDH1A1 2005/4885KDM4E 4789/4885HSD17B10 1780/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2005/4885KDM4E 4789/4885HSD17B10 1780/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2005/4885KDM4E 4789/4885HSD17B10 1780/4885

“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.