SCHEMBL3201642

SCHEMBL3201642

NCCCCN1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.59
HTR1A P08908 3/20 0.59
HTR2A P28223 3/20 0.59
DRD3 P35462 2/20 0.59
DRD4 P21917 1/20 0.58
CYP2D6 P10635 1/20 0.58
SLC6A4 P31645 3/20 0.57
SLC6A2 P23975 2/20 0.57
HSD17B10 Q99714 1/20 0.55
HTR7 P34969 4/20 0.51
HTR6 P50406 2/20 0.51
KCNH2 Q12809 1/20 0.50
SIGMAR1 Q99720 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
SCHEMBL5546416 0.89 HTR1A (0.56) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL2091565 0.85 DRD2 (0.59) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL2096175 0.84 DRD2 (0.57) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL2056123 0.83 DRD2 (0.60) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL2094777 0.83 DRD2 (0.60) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL3209307 0.83 SIGMAR1 (0.71) DRD2HTR1ADRD3CYP2D6HTR7
SCHEMBL3197906 0.83 CYP2D6 (0.63) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL3201631 0.81 DRD2 (0.61) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL8372631 0.80 HTR1A (0.56) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL16672426 0.80 SLC6A2 (0.56) DRD2HTR1AHTR2ADRD3DRD4

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-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 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
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

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 13/4885HTR1A 66/4885HTR2A 104/4885

“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.