SCHEMBL452370

SCHEMBL452370

[CH]=Cc1cccc2occc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
FTO Q9C0B1 1/20 0.41
KCNA3 P22001 1/20 0.37
FADS1 O60427 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
EED O75530 1/20 0.33
NFKB1 P19838 1/20 0.32
PTPN1 P18031 1/20 0.32
ACHE P22303 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL9113885 0.81 MAOA (0.36) MAOAMAOBFTOKCNA3FADS1
SCHEMBL28300613 0.79 MAOA (0.41) MAOAMAOBFTOKCNA3FADS1
SCHEMBL3800012 0.79 PTPN1 (0.47) MAOAMAOBFTOKCNA3NFKB1
SCHEMBL5546709 0.79 MAOA (0.41) MAOAMAOBFTOKCNA3FADS1
SCHEMBL29952108 0.79 PTPN1 (0.47) MAOAMAOBFTOKCNA3NFKB1
SCHEMBL17873694 0.75 KDM4E (0.39) MAOAMAOBFTOKCNA3FADS1
SCHEMBL17863610 0.75 KDM4E (0.39) MAOAMAOBFTOKCNA3FADS1
SCHEMBL28214374 0.73 KDM4E (0.38) MAOAMAOBFTOKCNA3FADS1
SCHEMBL22409645 0.73 CDK4 (0.43) MAOAMAOBFTOKCNA3FADS1
SCHEMBL22409644 0.73 CDK4 (0.43) MAOAMAOBFTOKCNA3FADS1

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 MAOA 257/4885MAOB 197/4885FTO 3966/4885

“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.