SCHEMBL3197065

SCHEMBL3197065

NC(=O)CCCN1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.52
HTR1A P08908 4/20 0.50
DRD4 P21917 3/20 0.50
DRD2 P14416 3/20 0.50
HTR7 P34969 3/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48
ME3 Q16798 1/20 0.48
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 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
SCHEMBL2386501 0.88 GFER (0.54) CACNA1GHTR1ADRD4DRD2HTR7
SCHEMBL3197900 0.86 HTR1A (0.66) CACNA1GHTR1ADRD4DRD2HTR7
SCHEMBL3200010 0.86 CACNA1G (0.69) CACNA1GHTR1ADRD4DRD2HTR7
SCHEMBL3207003 0.86 HTR1A (0.67) CACNA1GHTR1ADRD2HTR7HTR2A
SCHEMBL3196892 0.82 POLB (0.52) CACNA1GHTR1ADRD4DRD2HTR7
SCHEMBL3186218 0.82 HSD17B10 (0.70) HTR1ADRD4DRD2HTR7HTR2A
SCHEMBL13290300 0.82 CACNA1G (0.51) CACNA1GHTR1ADRD4DRD2HTR7
SCHEMBL3201631 0.82 DRD2 (0.61) HTR1ADRD4DRD2HTR7HTR2A
SCHEMBL3187219 0.82 OPRM1 (0.64) CACNA1GHTR1ADRD2HTR7HTR2A
SCHEMBL10963122 0.82 ME2 (0.58) DRD4ALDH1A1GAAMAPTHPGD

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 CACNA1G 245/4885HTR1A 66/4885DRD4 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.