SCHEMBL450714

SCHEMBL450714

[CH]=CCCCC1Cc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
AOC2 O75106 5/20 0.38
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
DAO P14920 1/20 0.38
HTR1A P08908 2/20 0.36
HTR1D P28221 1/20 0.36
CA2 P00918 2/20 0.34
HTR2A P28223 2/20 0.33
DRD2 P14416 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL450635 0.90 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL452349 0.80 HRH3 (0.49) HRH3AOC2MAOAMAOBDAO
SCHEMBL7270698 0.79 HRH3 (0.44) HRH3AOC2MAOAMAOBDAO
SCHEMBL10366459 0.79 HRH3 (0.44) HRH3AOC2MAOAMAOBDAO
SCHEMBL7271562 0.79 HRH3 (0.44) HRH3AOC2MAOAMAOBDAO
SCHEMBL450727 0.78 HTT (0.54) HTR1ACA2ADRA2AADRA2BADRA2C
SCHEMBL2059453 0.78 GRM2 (0.44) HRH3
SCHEMBL31289338 0.78 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL8689028 0.76 GRM2 (0.46) HRH3
SCHEMBL7797530 0.76 HRH3 (0.43) 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.