SCHEMBL894441

SCHEMBL894441

OCc1ccccc1NCc1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
APP P05067 2/20 0.47
ABCB1 P08183 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PPM1D O15297 1/20 0.41
NPC1 O15118 1/20 0.41
TDO2 P48775 1/20 0.41
KDM1A O60341 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
SCHEMBL7710784 0.83 CYP1A2 (0.50) ABCB1ABCG2MAPTALOX15MAPK1
SCHEMBL1520714 0.81 HSD17B10 (0.55) MAPTALDH1A1HPGD
SCHEMBL13098134 0.79 HDAC8 (0.49) MAPTHTTALDH1A1HPGDNPC1
SCHEMBL5541606 0.78 PARP1 (0.50) PARP1APPFFAR1FFAR4MAPT
SCHEMBL13802471 0.77 EGFR (0.55) MAPTHTTALDH1A1NPC1TDO2
SCHEMBL7713168 0.76 MEN1 (0.61) ABCB1ABCG2FFAR1MAPTALDH1A1
SCHEMBL13331747 0.75 CYP1A2 (0.54) PARP1APPFFAR1FFAR4MAPT
SCHEMBL13098129 0.75 CA12 (0.48) MAPTHTTMAPK1AURKARPS6KB1
SCHEMBL19524638 0.74 PARP1 (0.47) PARP1APPFFAR1FFAR4MAPT
SCHEMBL632168 0.73 FFAR1 (0.63) PARP1APPFFAR1FFAR4MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-8461145-B2 Dibenzoazepine and dibenzooxazepine TRPA1 agonists JANSSEN PHARMACEUTICA NV (BE) 2013-06-11 US disclosed
US-8461145-B2 Dibenzoazepine and dibenzooxazepine TRPA1 agonists JANSSEN PHARMACEUTICA NV (BE) 2013-06-11 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20110124666-A1 3,4-DIHYDROPYRIMIDINE TRPA1 ANTAGONISTS Janssen Pharmaceutica NV a corporation 2011-05-26 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 US disclosed
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 US disclosed
WO-2009147079-A1 3,4-DIHYDROPYRIMIDINE TRPA1 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-12-10 WO disclosed
WO-2009071631-A2 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-11 WO 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-20110124666-A1 3,4-DIHYDROPYRIMIDINE TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV3 PARP1 3288/4885APP 1012/4885ABCB1 154/4885
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS TRPA1, TRPV1, TRPV2 PARP1 2425/4885APP 620/4885ABCB1 230/4885
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 PARP1 4604/4885APP 969/4885ABCB1 339/4885

“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.