SCHEMBL3209296

SCHEMBL3209296

NC(=O)CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.63
HTR7 P34969 5/20 0.63
DRD2 P14416 3/20 0.62
DRD3 P35462 3/20 0.62
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
THPO P40225 1/20 0.60
MTOR P42345 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HTR1A P08908 1/20 0.60

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
SCHEMBL11278842 0.94 SIGMAR1 (0.62) SIGMAR1HTR7DRD2DRD3ALDH1A1
SCHEMBL2114093 0.90 SIGMAR1 (0.67) SIGMAR1HTR7DRD2DRD3DRD5
SCHEMBL10758931 0.88 DRD2 (0.60) SIGMAR1HTR7DRD2DRD3ALDH1A1
SCHEMBL11151877 0.87 DRD3 (0.57) SIGMAR1HTR7DRD2DRD3ALDH1A1
SCHEMBL11465528 0.87 SIGMAR1 (0.76) SIGMAR1HTR7DRD2DRD3ALDH1A1
SCHEMBL2113032 0.86 SIGMAR1 (0.69) SIGMAR1HTR7DRD2DRD3DRD5
SCHEMBL10366635 0.86 DRD2 (0.63) SIGMAR1HTR7DRD2DRD3ALDH1A1
SCHEMBL4687501 0.85 SIGMAR1 (0.67) SIGMAR1HTR7DRD2DRD3HTR1A
SCHEMBL4938916 0.85 SIGMAR1 (0.67) SIGMAR1HTR7DRD2DRD3HTR1A
SCHEMBL2111769 0.85 SIGMAR1 (0.67) SIGMAR1HTR7DRD2DRD3ALDH1A1

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 SIGMAR1 109/4885HTR7 119/4885DRD2 13/4885

“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.