SCHEMBL5185385

SCHEMBL5185385

Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 1.00
DRD2 P14416 1/20 0.86
DRD4 P21917 1/20 0.86
DRD3 P35462 1/20 0.86

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
SCHEMBL14164158 0.94 HTR1A (0.89) HTR1ADRD2DRD4DRD3
Befiradol SCHEMBL31214695 0.93 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL1380782 0.93 HTR1A (0.86) HTR1ADRD2DRD4DRD3
Befiradol SCHEMBL29408712 0.93 HTR1A (1.00) HTR1ADRD2DRD4DRD3
Befiradol SCHEMBL678174 0.93 HTR1A (1.00) HTR1ADRD2DRD4DRD3
Befiradol SCHEMBL4546512 0.93 HTR1A (1.00) HTR1ADRD2DRD4DRD3
Befiradol SCHEMBL31214696 0.93 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL10066547 0.89 HTR1A (0.79) HTR1ADRD2DRD4DRD3
SCHEMBL1378364 0.89 HTR1A (0.86) HTR1ADRD2DRD4DRD3
Befiradol SCHEMBL503072 0.88 HTR1A (0.90) HTR1ADRD2DRD4DRD3

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-0946546-B1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PF MEDICAMENT (FR) 2003-06-25 EP claimed
US-8609694-B2 Use of pyridin-2-yl-methylamine derivatives for the production of a medicament for the treatment of chronic pain symptoms of neuropathological or psychogenic origin PIERRE FABRE MEDICAMENT (FR) 2013-12-17 US disclosed
EP-1603564-B1 USE OF PYRIDIN-2-YLMETHYLAMINE DERIVATIVES FOR THE PRODUCTION OF A MEDICAMENT FOR THE TREATMENT OF CHRONIC NEUROPATHOLOGICAL OR PSYCHOGENIC PAIN SYMPTOMS PF MEDICAMENT (FR) 2007-07-04 EP disclosed
US-20060241141-A1 Use of pyridin-2-ylmethylamine derivatives for the production of a medicament for the treatment of chronic pain symptoms of neuropathological or psychogenic origin PIERRE FABRE MEDICAMENT (FR) 2006-10-26 US disclosed
EP-1603564-A2 USE OF PYRIDIN-2-YLMETHYLAMINE DERIVATIVES FOR THE PRODUCTION OF A MEDICAMENT FOR THE TREATMENT OF CHRONIC NEUROPATHOLOGICAL OR PSYCHOGENIC PAIN SYMPTOMS PIERRE FABRE MEDICAMENT (FR) 2005-12-14 EP disclosed
WO-2004083171-A2 USE OF PYRIDIN-2-YLMETHYLAMINE DERIVATIVES FOR THE TREATMENT OF CHRONIC NEUROPATHOLOGICAL OR PSYCHOGENIC PAIN SYMPTOMS PIERRE FABRE MEDICAMENT (FR) 2004-09-30 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-20060241141-A1 Use of pyridin-2-ylmethylamine derivatives for the production of a medicament for the treatment of chronic pain symptoms of neuropathological or psychogenic origin PNMT, HTR2C, PYGB HTR1A 20/4885DRD2 394/4885DRD4 1220/4885

“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.