SCHEMBL452349

SCHEMBL452349

[CH]=CCC1Cc2ccccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
AOC2 O75106 5/20 0.45
MAOA P21397 5/20 0.45
MAOB P27338 5/20 0.45
DAO P14920 1/20 0.45
HTR1A P08908 2/20 0.39
HTR1D P28221 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
CA2 P00918 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR2A P28223 2/20 0.35

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
SCHEMBL450635 0.83 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL3717543 0.82 HRH3 (0.60) HRH3AOC2MAOAMAOBDAO
SCHEMBL450714 0.80 HRH3 (0.45) HRH3AOC2MAOAMAOBDAO
SCHEMBL10622758 0.79 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL10622772 0.79 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL28390611 0.78 HRH3 (0.46) HRH3AOC2MAOAMAOBDAO
SCHEMBL9843260 0.77 HRH3 (0.45) HRH3AOC2MAOAMAOBDAO
SCHEMBL9843265 0.77 HRH3 (0.45) HRH3AOC2MAOAMAOBDAO
SCHEMBL4526675 0.76 HRH3 (0.49) HRH3AOC2MAOAMAOBDAO
SCHEMBL17193879 0.76 HRH3 (0.49) HRH3AOC2MAOAMAOBDAO

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 HRH3 226/4885AOC2 75/4885MAOA 257/4885

“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.