SCHEMBL3983327

SCHEMBL3983327

Cc1ccc(N2CCN(CCCCNC(=O)C3=Cc4ccccc4OC3)CC2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.53
DRD3 P35462 9/20 0.53
DRD4 P21917 3/20 0.53
ADRA1A P35348 3/20 0.50
GSK3B P49841 2/20 0.49
ADRA1D P25100 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR1A P08908 3/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL8231082 0.91 DRD3 (0.58) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL13484894 0.90 DRD3 (0.57) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL3974592 0.87 DRD2 (0.60) DRD2DRD3DRD4ADRA1AHTR1A
SCHEMBL3977376 0.85 MAOA (0.52) DRD2DRD3DRD4GSK3BHTR1A
SCHEMBL13484855 0.84 DRD3 (0.55) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL13484895 0.84 DRD3 (0.55) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL3981471 0.84 DRD3 (0.61) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL8229489 0.84 DRD3 (0.57) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL8232387 0.84 DRD2 (0.58) DRD2DRD3DRD4ADRA1AADRA1D
SCHEMBL4081203 0.83 DRD3 (0.57) DRD2DRD3DRD4ADRA1AADRA1D

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
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
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 DRD2 13/4885DRD3 1/4885DRD4 26/4885

“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.