SCHEMBL137379

SCHEMBL137379

[C-]#[N+]/N=C(\NCc1ccccn1)N(CC)Cc1cc(C)ccc1-c1cc(CC(=O)OCC)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGDR2 Q9Y5Y4 13/20 0.42
PTGDR Q13258 3/20 0.39
TBXA2R P21731 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
PTGIR P43119 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAF1 P04049 1/20 0.38
MAP2K1 Q02750 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL136330 0.93 PTGDR2 (0.49) PKMMEN1CYP1A2CYP2C19KMT2A
SCHEMBL134857 0.88 PTGDR2 (0.53) PKMMEN1CYP1A2CYP2C19KMT2A
SCHEMBL136215 0.87 PTGDR2 (0.45) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL135050 0.86 PTGDR2 (0.43) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL136306 0.85 PTGDR2 (0.44) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL137943 0.83 PTGDR2 (0.42) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL136288 0.81 PTGDR2 (0.41) MEN1KMT2APTGDR2PTGDRTBXA2R
SCHEMBL10271994 0.81 PTGDR2 (0.55) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL154926 0.81 PTGDR2 (0.55) PTGDR2PTGDRTBXA2RCYP3A4CYP2C9
SCHEMBL137078 0.81 PTGDR2 (0.63) PKMMEN1CYP1A2CYP2C19KMT2A

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 PKM 2693/4885MEN1 4792/4885CYP1A2 449/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PKM 2693/4885MEN1 4792/4885CYP1A2 449/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PKM 2693/4885MEN1 4792/4885CYP1A2 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.