SCHEMBL3976040

SCHEMBL3976040

COc1ccc(N2CCN(CCCCNC(=O)C3=Cc4ccccc4OC3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
DRD4 P21917 4/20 0.57
HTR1A P08908 2/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
HRH1 P35367 1/20 0.57
DRD3 P35462 5/20 0.55
NPC1 O15118 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
DRD2 P14416 3/20 0.53
GFER P55789 1/20 0.52
OPRK1 P41145 1/20 0.51

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
SCHEMBL8231568 0.93 DRD3 (0.53) LMNADRD4HTR1AHTR2AHTR2C
SCHEMBL8223541 0.91 DRD3 (0.62) DRD4HTR1AHTR2AHTR2CHRH1
SCHEMBL3977786 0.91 DRD3 (0.57) LMNADRD4HTR1AHTR2AHTR2C
SCHEMBL4081203 0.90 DRD3 (0.57) DRD4HTR1AHTR2AHTR2CHRH1
SCHEMBL13484964 0.90 DRD3 (0.47) LMNADRD4HTR1AHTR2AHTR2C
SCHEMBL3977157 0.89 DRD3 (0.55) DRD4HTR1AHTR2AHTR2CHRH1
SCHEMBL8223615 0.89 TP53 (0.59) LMNADRD4HTR1AHTR2AHTR2C
SCHEMBL8229514 0.89 MAOB (0.55) LMNADRD4HTR1AHTR2AHTR2C
SCHEMBL8231914 0.88 DRD2 (0.64) DRD4DRD3NPC1NFKB1RAB9A
SCHEMBL3978502 0.87 DRD2 (0.51) LMNADRD4HTR1AHTR2AHTR2C

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
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 LMNA 3986/4885DRD4 26/4885HTR1A 66/4885

“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.