SCHEMBL311435

SCHEMBL311435

Clc1cccc2c1C=Nc1ccccc1O2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.55
AHR P35869 4/20 0.47
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL1772872 0.77 TRPA1 (0.55) TRPA1AHRMEN1MAPTHTT
SCHEMBL1772874 0.77 TRPA1 (0.55) TRPA1MEN1MAPTHTTKMT2A
SCHEMBL9232229 0.77 TRPA1 (0.55) TRPA1AHRMEN1MAPTHTT
SCHEMBL8129756 0.77 TRPA1 (0.60) TRPA1AHRMEN1MAPTHTT
SCHEMBL4429635 0.73 TRPA1 (0.50) TRPA1MEN1MAPTHTTKMT2A
SCHEMBL29893783 0.73 TRPA1 (0.50) TRPA1MEN1MAPTHTTKMT2A
SCHEMBL1343228 0.73 TRPA1 (0.53) TRPA1MEN1MAPTHTTKMT2A
SCHEMBL1726796 0.72 TRPA1 (0.56) TRPA1LMNATSHRHTR2CHTR2B
SCHEMBL9270352 0.72 TRPA1 (0.62) TRPA1AHRMEN1MAPTHTT
Dibenzo[B,F][1,4]Oxazepine SCHEMBL123289 0.71 TRPA1 (1.00) TRPA1MEN1MAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178738-A1 DIBENZO [B,F] [1,4]OXAZAPINE COMPOUNDS ARYX THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
US-8093237-B2 11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazapine compounds; psychological disorders, sleep disorders; antipsychotic agents that modulate monoaminergic neurotransmitter receptor subtypes; side effect reduction ARYX THERAPEUTICS, INC. (US) 2012-01-10 US disclosed
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS PROTOCELL THERAPEUTICS INC. 2008-10-16 US disclosed
EP-1937614-A1 IRON CATALYZED CROSS-COUPLING REACTIONS OF IMIDOYL DERIVATIVES Arcadia Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
WO-2007047776-A1 IRON CATALYZED CROSS-COUPLING REACTIONS OF IMIDOYL DERIVATIVES ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 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 (2 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-20120178738-A1 DIBENZO [B,F] [1,4]OXAZAPINE COMPOUNDS DBH, DRD4, PSEN1 TRPA1 3340/4885AHR 1305/4885MEN1 3653/4885
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS DBH, DRD4, PSEN1 TRPA1 3340/4885AHR 1305/4885MEN1 3653/4885

“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.