SCHEMBL3196772

SCHEMBL3196772

COc1ccc(N2CCN(CCCCN)CC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.62
KCNH2 Q12809 3/20 0.55
HTR7 P34969 1/20 0.51
CYP2D6 P10635 1/20 0.50
DRD2 P14416 3/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
HTR1A P08908 5/20 0.47
EBP Q15125 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
TMEM97 Q5BJF2 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
Hydrochloric Acid SCHEMBL3188909 0.99 HSD17B10 (0.60) HSD17B10KCNH2HTR7CYP2D6DRD2
SCHEMBL4395789 0.90 HSD17B10 (0.55) HSD17B10KCNH2HTR7CYP2D6DRD2
SCHEMBL3197293 0.84 HSD17B10 (0.56) HSD17B10KCNH2CYP2D6HTR1A
SCHEMBL10995564 0.84 KCNH2 (0.52) HSD17B10KCNH2HTR7DRD2DRD4
SCHEMBL3196764 0.84 HTR1A (0.51) HSD17B10KCNH2HTR7CYP2D6DRD2
Hydrochloric Acid SCHEMBL3188893 0.83 HTR1A (0.50) HSD17B10KCNH2HTR7CYP2D6DRD2
SCHEMBL3186225 0.81 HSD17B10 (0.91) HSD17B10KCNH2HTR7CYP2D6DRD2
SCHEMBL3196645 0.81 HSD17B10 (0.71) HSD17B10KCNH2HTR7CYP2D6DRD2
Hydrochloric Acid SCHEMBL27460523 0.81 SIGMAR1 (0.66) DRD2DRD4DRD3EBPSIGMAR1
SCHEMBL3198597 0.81 KCNH2 (0.84) HSD17B10KCNH2HTR7CYP2D6DRD2

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 HSD17B10 1343/4885KCNH2 1015/4885HTR7 119/4885

“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.