SCHEMBL3975358

SCHEMBL3975358

COc1ccc2c(c1)OCC(C(=O)NCCCCN1CCN(c3cccc(C#N)c3)CC1)=C2

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.54
KCNH2 Q12809 1/20 0.54
HTR1A P08908 8/20 0.52
HTR2A P28223 8/20 0.52
DRD2 P14416 8/20 0.52
HTR2C P28335 6/20 0.52
DRD4 P21917 6/20 0.51
HRH1 P35367 1/20 0.49

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
SCHEMBL8223703 0.94 DRD3 (0.54) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL3977165 0.89 DRD3 (0.55) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL13484840 0.88 DRD3 (0.62) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL13484913 0.88 DRD3 (0.55) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL3976216 0.88 DRD3 (0.55) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL8231863 0.86 DRD3 (0.60) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL8223541 0.86 DRD3 (0.62) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL13484897 0.85 DRD3 (0.57) DRD3KCNH2HTR1AHTR2ADRD2
SCHEMBL3978987 0.85 DRD4 (0.52) DRD3HTR1AHTR2ADRD2HTR2C
SCHEMBL13484907 0.84 DRD3 (0.49) DRD3HTR1AHTR2ADRD2HTR2C

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
EP-2057138-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME Pierre Fabre Medicament (FR) 2009-05-13 EP claimed
WO-2008009741-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2008-01-24 WO claimed
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 US disclosed
US-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME PIERRE FABRE MEDICAMENT (FR) 2010-02-04 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-20100029682-A1 NOVEL CHROMENE AND THIOCHROMENE CARBOXAMIDE DERIVATIVES, METHODS FOR PREPARING SAME AND THERAPEUTIC APPLICATIONS OF SAME DRD3, CHRNA3, CHRM3 DRD3 1/4885KCNH2 1015/4885HTR1A 66/4885

“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.