SCHEMBL434910

SCHEMBL434910

COc1cccc2c1N(C)C(=O)C(C)C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.55
ACHE P22303 6/20 0.45
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTR1A P08908 6/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
DRD3 P35462 2/20 0.38
HTR2B P41595 2/20 0.38
HTR1D P28221 1/20 0.38

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
SCHEMBL15241830 0.84 AADAT (0.57) AADATACHEDRD2HTR2AHTR2C
SCHEMBL30772379 0.75 AADAT (0.61) AADATHTR1ADRD2DRD4HTR2A
SCHEMBL7101088 0.74 ACHE (0.64) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL8999207 0.74 GAA (0.47) AADATMAPTHPGDHTR1ADRD2
SCHEMBL96857 0.73 AADAT (0.48) AADATDRD2DRD4HTR2CDRD3
SCHEMBL6608720 0.71 ACHE (0.43) AADATACHEMAPTHPGD
SCHEMBL6763635 0.71 AADAT (1.00) AADAT
SCHEMBL21935774 0.71 AADAT (0.49) AADATHTR1ADRD2DRD4HTR2A
SCHEMBL30489337 0.70 MAPT (0.56) AADATACHEMAPTHPGDDRD2
SCHEMBL9560256 0.70 MAPT (0.56) AADATACHEMAPTHPGDDRD2

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
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US 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 AADAT 1859/4885ACHE 2940/4885MAPT 4550/4885

“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.