SCHEMBL136551

SCHEMBL136551

CCN(Cc1cc(C)ccc1Br)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
MCHR1 Q99705 1/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL134740 0.88 ALDH1A1 (0.51) KMT2AALDH1A1MEN1HTTMAPT
SCHEMBL152047 0.84 PTGDR2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19NPC1
SCHEMBL135241 0.81 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19NPC1
SCHEMBL137493 0.80 PTGDR2 (0.47) CYP3A4KMT2AALDH1A1RAB9AMEN1
SCHEMBL137650 0.80 PTGDR2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C19NPC1
SCHEMBL136919 0.79 HPGD (0.42) KMT2AALDH1A1RAB9AMEN1TDP1
SCHEMBL135001 0.77 PTGDR2 (0.68) CYP3A4HTTMAPT
SCHEMBL134997 0.76 PTGDR2 (0.57) CYP3A4KMT2AHTTMAPT
SCHEMBL135252 0.75 PTGDR2 (0.54) CYP3A4
SCHEMBL135242 0.74 PTGDR2 (0.49) CYP3A4NPC1KMT2AALDH1A1RAB9A

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 CYP1A2 449/4885CYP3A4 882/4885CYP2D6 456/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP1A2 449/4885CYP3A4 882/4885CYP2D6 456/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP1A2 449/4885CYP3A4 882/4885CYP2D6 456/4885

“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.