SCHEMBL3982437

SCHEMBL3982437

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.56
HTR2A P28223 5/20 0.56
HTR1A P08908 3/20 0.56
HTR7 P34969 2/20 0.56
HTR6 P50406 2/20 0.56
DRD3 P35462 4/20 0.53
ADRA1A P35348 1/20 0.53
MAPT P10636 3/20 0.53
TP53 P04637 1/20 0.53
DRD4 P21917 3/20 0.52
KCNH2 Q12809 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP2 O75604 1/20 0.49

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
SCHEMBL13484924 0.92 DRD2 (0.54) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL3976988 0.91 HTR1A (0.50) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL3977444 0.90 DRD2 (0.52) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL3976542 0.90 DRD3 (0.50) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL3974595 0.89 DRD2 (0.59) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL3981975 0.89 DRD3 (0.57) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL3979490 0.88 DRD2 (0.50) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL13484923 0.88 MAPT (0.55) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL3977379 0.88 DRD3 (0.56) DRD2HTR2AHTR1ADRD3MAPT
SCHEMBL3981879 0.86 DRD2 (0.58) DRD2HTR2AHTR1AHTR7HTR6

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 4 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

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 DRD2 13/4885HTR2A 104/4885HTR1A 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.