SCHEMBL3977236

SCHEMBL3977236

N#Cc1cccc(N2CCN(CCCCNC(=O)C3=Cc4ccccc4SC3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 13/20 0.61
KCNH2 Q12809 2/20 0.61
DRD2 P14416 11/20 0.59
DRD4 P21917 1/20 0.59
ADRA1A P35348 2/20 0.47
HTR1A P08908 4/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 2/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL3977153 0.91 DRD3 (0.55) DRD3KCNH2DRD2DRD4ADRA1A
SCHEMBL13484956 0.91 DRD2 (0.57) DRD3KCNH2DRD2DRD4ADRA1A
SCHEMBL3983538 0.89 DRD2 (0.59) DRD3KCNH2DRD2DRD4ADRA1A
SCHEMBL3982327 0.89 DRD3 (0.60) DRD3KCNH2DRD2DRD4ADRA1A
SCHEMBL3976554 0.88 DRD3 (0.58) DRD3KCNH2DRD2DRD4ADRA1A
SCHEMBL3978343 0.87 DRD3 (0.52) DRD3KCNH2DRD2DRD4ADRA1A
SCHEMBL8230558 0.87 DRD3 (0.48) DRD3KCNH2DRD2ADRA1AHTR1A
SCHEMBL3982345 0.86 DRD3 (0.47) DRD3KCNH2DRD2DRD4ADRA1A
SCHEMBL3984452 0.86 DRD3 (0.62) DRD3KCNH2DRD2DRD4HTR1A
SCHEMBL3981785 0.85 DRD2 (0.62) DRD3DRD2ADRA1AHTR1AHTR2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 disclosed
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 disclosed
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 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 1015/4885DRD2 13/4885

“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.