SCHEMBL451210

SCHEMBL451210

[CH]=CC1Cc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.41
MAOA P21397 6/20 0.41
AOC2 O75106 5/20 0.41
DAO P14920 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NISCH Q9Y2I1 1/20 0.36
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL334480 0.80 HRH3 (0.49) MAOBMAOAAOC2DAOHRH3
SCHEMBL12060988 0.80 HRH3 (0.49) MAOBMAOAAOC2DAOHRH3
SCHEMBL28842254 0.80 MAOB (0.49) MAOBMAOAAOC2DAOHRH3
SCHEMBL6209606 0.80 MAOB (0.41) MAOBMAOAAOC2DAOHRH3
SCHEMBL30142986 0.80 HRH3 (0.49) MAOBMAOAAOC2DAOHRH3
SCHEMBL434337 0.80 MAOA (0.41) MAOBMAOAAOC2DAOHRH3
SCHEMBL27651808 0.78 MAOB (0.41) MAOBMAOAAOC2DAOHRH3
SCHEMBL9113367 0.77 HRH3 (0.40) MAOBMAOAAOC2DAOHRH3
SCHEMBL447734 0.76 NISCH (0.44) NISCHNFKB1
SCHEMBL10508395 0.76 MAOA (0.42) MAOBMAOAAOC2DAOHRH3

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-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 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 (1 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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH MAOB 197/4885MAOA 257/4885AOC2 75/4885

“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.