SCHEMBL452968

SCHEMBL452968

[CH]=CCCCc1cccc2occc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EED O75530 5/20 0.40
KCNA3 P22001 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
FTO Q9C0B1 1/20 0.33
HDAC1 Q13547 1/20 0.32
SUZ12 Q15022 2/20 0.31
EZH2 Q15910 2/20 0.31
MCL1 Q07820 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
SCHEMBL448511 0.95 EED (0.39) EEDKCNA3MTNR1AMTNR1BOPRM1
SCHEMBL450607 0.90 EED (0.41) EEDKCNA3MTNR1AMTNR1BOPRM1
SCHEMBL446625 0.80 EED (0.43) EEDKCNA3MTNR1AMTNR1BOPRM1
SCHEMBL347860 0.78 MTNR1A (0.47) EEDKCNA3MTNR1AMTNR1BOPRM1
SCHEMBL6952349 0.78 EED (0.42) EEDKCNA3MTNR1AMTNR1BOPRM1
SCHEMBL2096585 0.78 EED (0.42) EEDKCNA3MTNR1AMTNR1BOPRM1
SCHEMBL8835248 0.78 EED (0.42) EEDKCNA3MTNR1AMTNR1BOPRM1
SCHEMBL2095886 0.77 KCNA3 (0.43) EEDKCNA3MTNR1AMTNR1BOPRM1
SCHEMBL2096511 0.75 EED (0.40) EEDKCNA3MTNR1AMTNR1BOPRM1
SCHEMBL3793134 0.74 MTNR1A (0.49) EEDKCNA3MTNR1AMTNR1BOPRM1

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 3 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

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 EED 3331/4885KCNA3 1786/4885MTNR1A 123/4885

“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.