SCHEMBL3973940

SCHEMBL3973940

O=C(NCCCCN1CCN(c2cccc(O)c2)CC1)C1=Cc2ccccc2OC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.60
DRD2 P14416 9/20 0.60
ADRA1A P35348 2/20 0.60
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
HTR1A P08908 7/20 0.48
HTR2A P28223 7/20 0.48
HTR2C P28335 4/20 0.48
KCNH2 Q12809 2/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
OPRM1 P35372 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
SCHEMBL3974595 0.92 DRD2 (0.59) DRD3DRD2ADRA1ATP53MAPT
SCHEMBL3976542 0.91 DRD3 (0.50) DRD3DRD2ADRA1ATP53MAPT
SCHEMBL4081203 0.91 DRD3 (0.57) DRD3DRD2ADRA1ATP53MAPT
SCHEMBL3976533 0.90 DRD2 (0.55) DRD3DRD2ADRA1ATP53MAPT
SCHEMBL3977157 0.90 DRD3 (0.55) DRD3DRD2ADRA1ATP53MAPT
SCHEMBL13484924 0.90 DRD2 (0.54) DRD3DRD2ADRA1ATP53MAPT
SCHEMBL8232380 0.89 DRD3 (0.49) DRD3DRD2ADRA1ATP53MAPT
SCHEMBL8223541 0.89 DRD3 (0.62) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL8223731 0.88 DRD2 (0.62) DRD3DRD2ADRA1AHTR1AHTR2A
SCHEMBL13484840 0.88 DRD3 (0.62) DRD3DRD2ADRA1ATP53MAPT

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 5 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 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
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 DRD3 1/4885DRD2 13/4885ADRA1A 159/4885

“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.