SCHEMBL3197900

SCHEMBL3197900

NC(=O)CCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.66
DRD2 P14416 7/20 0.66
DRD4 P21917 5/20 0.66
DRD3 P35462 5/20 0.66
HTR2A P28223 4/20 0.66
HTR2C P28335 2/20 0.66
HRH1 P35367 2/20 0.66
CACNA1G O43497 1/20 0.62
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
DRD1 P21728 3/20 0.60
TMEM97 Q5BJF2 3/20 0.60
SIGMAR1 Q99720 3/20 0.60
SLC6A4 P31645 2/20 0.60
CHRM1 P11229 1/20 0.60
HTR2B P41595 1/20 0.60
HTR6 P50406 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HTR7 P34969 3/20 0.59

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
Maleic Acid SCHEMBL30604712 0.92 HTR1A (0.58) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL9834124 0.88 DRD2 (0.66) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL6371762 0.87 HTR1A (0.57) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL2386501 0.86 GFER (0.54) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL3197065 0.86 CACNA1G (0.52) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL11832182 0.85 DRD2 (0.88) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL3200010 0.85 CACNA1G (0.69) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL3207003 0.84 HTR1A (0.67) HTR1ADRD2DRD3HTR2ACACNA1G
SCHEMBL3201631 0.84 DRD2 (0.61) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL8011318 0.84 DRD2 (0.69) HTR1ADRD2DRD4DRD3HTR2A

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 9 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 claimed
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
EP-0191867-B1 TRYCICLIC OR TETRACYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1991-10-16 EP disclosed
US-4749703-A Calcium antagonist piperazine derivatives, and compositions therefor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1988-06-07 US disclosed
EP-0191867-A1 TRYCICLIC OR TETRACYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1986-08-27 EP 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 66/4885DRD2 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.