SCHEMBL3976988

SCHEMBL3976988

Nc1cccc(N2CCN(CCCCNC(=O)C3=Cc4cc(F)ccc4OC3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.50
DRD3 P35462 8/20 0.50
HTR2A P28223 7/20 0.50
DRD2 P14416 7/20 0.50
HTR2C P28335 4/20 0.50
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
KCNH2 Q12809 2/20 0.46
GAA P10253 1/20 0.46
ADRA1A P35348 2/20 0.45
CCR2 P41597 1/20 0.44
CCR3 P51677 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL3976533 0.91 DRD2 (0.55) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL3982437 0.91 DRD2 (0.56) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL3976542 0.90 DRD3 (0.50) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL3978392 0.88 DRD3 (0.57) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL3977379 0.88 DRD3 (0.56) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL13484926 0.88 HTR1A (0.58) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL13484931 0.88 HTR7 (0.49) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL3982647 0.88 POLB (0.49) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL13484928 0.86 DRD2 (0.59) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL3979732 0.85 POLB (0.47) HTR1ADRD3HTR2ADRD2HTR2C

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
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
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 HTR1A 66/4885DRD3 1/4885HTR2A 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.