SCHEMBL3197073

SCHEMBL3197073

NCCCCN1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.63
HSD17B10 Q99714 1/20 0.59
KCNH2 Q12809 1/20 0.54
DRD4 P21917 2/20 0.51
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HTR7 P34969 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SIGMAR1 Q99720 2/20 0.49
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL11073634 0.83 HSD17B10 (0.63) CYP2D6HSD17B10KCNH2GAAALDH1A1
SCHEMBL3200018 0.83 KDM4E (0.69) CYP2D6HSD17B10KCNH2DRD4GAA
SCHEMBL29240322 0.83 KDM4E (0.69) KCNH2DRD4GAAALDH1A1MAPT
SCHEMBL5185951 0.83 CYP2D6 (0.63) CYP2D6HSD17B10KCNH2DRD4GAA
SCHEMBL3197906 0.83 CYP2D6 (0.63) CYP2D6HSD17B10KCNH2DRD4ALDH1A1
SCHEMBL3025110 0.83 CYP2D6 (0.90) CYP2D6HSD17B10KCNH2HTR7SIGMAR1
SCHEMBL3187228 0.81 DRD2 (0.67) CYP2D6KCNH2DRD4HTR7DRD2
SCHEMBL11355026 0.81 CYP2D6 (0.87) CYP2D6KCNH2HTR7SIGMAR1DRD2
Hydrochloric Acid SCHEMBL7971932 0.81 CYP2D6 (0.87) CYP2D6KCNH2SIGMAR1DRD2DRD3
SCHEMBL11242236 0.81 CYP2D6 (0.87) CYP2D6KCNH2HTR7SIGMAR1DRD2

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 6 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
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
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 CYP2D6 896/4885HSD17B10 1343/4885KCNH2 1015/4885

“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.