SCHEMBL1867299

SCHEMBL1867299

NC(=O)CCCN1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.65
HTR1A P08908 4/20 0.64
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
HTR7 P34969 3/20 0.60
DRD2 P14416 5/20 0.58
DRD4 P21917 4/20 0.58
DRD3 P35462 3/20 0.57
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
HTR2A P28223 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
SCHEMBL3187864 0.90 DRD2 (0.67) HTR1AHTR7DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL3207599 0.89 DRD2 (0.65) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL3200957 0.85 HTR1A (0.62) CACNA1GHTR1AHTR7DRD2DRD3
SCHEMBL3187667 0.84 CACNA1G (0.63) CACNA1GHTR1AKDM4ELMNAHTR7
SCHEMBL3200095 0.84 ADRA1B (0.56) HTR1ALMNAHTR7DRD2DRD4
Hydrochloric Acid SCHEMBL3196046 0.83 CACNA1G (0.62) CACNA1GHTR1AKDM4ELMNAHTR7
SCHEMBL3210347 0.83 DRD3 (0.54) CACNA1GHTR1ADRD2DRD4DRD3
SCHEMBL11820063 0.82 HTR1A (0.72) CACNA1GHTR1AHTR7DRD2DRD4
SCHEMBL2113305 0.82 HTR1A (0.76) CACNA1GHTR1AKDM4ELMNAHTR7
SCHEMBL3196213 0.82 DRD2 (0.57) HTR1ADRD2DRD4DRD3ADRA1A

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 claimed
WO-2011006794-A9 3-OXO-2, 3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 WO 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

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 CACNA1G 245/4885HTR1A 66/4885KDM4E 2673/4885

“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.