SCHEMBL3976609

SCHEMBL3976609

O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1=Cc2cc(Cl)ccc2OC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 18/20 0.60
DRD2 P14416 17/20 0.60
DRD4 P21917 14/20 0.60
HTR1A P08908 5/20 0.60
ADRA1A P35348 4/20 0.60
ADRA1D P25100 3/20 0.60
ADRA1B P35368 3/20 0.60
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
DRD1 P21728 1/20 0.57
HTR2B P41595 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL13484896 0.93 DRD3 (0.58) DRD3DRD2DRD4HTR1AADRA1A
SCHEMBL13484925 0.92 DRD3 (0.66) DRD3DRD2DRD4HTR1AADRA1A
SCHEMBL3980521 0.91 DRD3 (0.66) DRD3DRD2DRD4HTR1AADRA1A
SCHEMBL13484922 0.90 DRD3 (0.57) DRD3DRD2DRD4HTR1AADRA1A
Hydrochloric Acid SCHEMBL3978583 0.90 DRD3 (0.65) DRD3DRD2DRD4HTR1AADRA1A
SCHEMBL8229491 0.90 DRD2 (0.67) DRD3DRD2DRD4HTR1AADRA1A
SCHEMBL8229501 0.88 DRD2 (0.55) DRD3DRD2DRD4HTR1AADRA1A
SCHEMBL13484855 0.88 DRD3 (0.55) DRD3DRD2DRD4HTR1AADRA1A
SCHEMBL8229083 0.86 DRD2 (0.63) DRD3DRD2DRD4HTR1AADRA1A
SCHEMBL3982187 0.85 DRD2 (0.46) DRD3DRD2DRD4HTR1AADRA1A

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 7 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
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 13/4885DRD4 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.