SCHEMBL1379010

SCHEMBL1379010

O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2ccc(Cl)cn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 1.00
DRD2 P14416 1/20 0.84
DRD4 P21917 1/20 0.84
DRD3 P35462 1/20 0.84

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
SCHEMBL1377712 0.93 HTR1A (0.86) HTR1ADRD2DRD4DRD3
Befiradol SCHEMBL4546512 0.92 HTR1A (1.00) HTR1ADRD2DRD4DRD3
Befiradol SCHEMBL31214695 0.92 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL20676053 0.92 HTR1A (0.84) HTR1ADRD2DRD4DRD3
Befiradol SCHEMBL678174 0.92 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL13804619 0.92 HTR1A (0.84) HTR1ADRD2DRD4DRD3
Befiradol SCHEMBL31214696 0.92 HTR1A (1.00) HTR1ADRD2DRD4DRD3
Befiradol SCHEMBL29408712 0.92 HTR1A (1.00) HTR1ADRD2DRD4DRD3
SCHEMBL1378993 0.91 HTR1A (1.00) HTR1ADRD2DRD4DRD3
Befiradol SCHEMBL19971703 0.89 HTR1A (0.88) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4699027-B2 2011-06-08 JP claimed
US-20060100244-A1 Novel aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2006-05-11 US claimed
EP-1539738-A1 NOVEL ARYL- 4-HALO-4- HETEROARYLMETHYLAMINO)-METHYL]-PIPERIDIN-1-YL -METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2005-06-15 EP claimed
WO-2003106449-A1 NOVEL ARYL-{4-HALO-4-[HETEROARYLMETHYLAMINO)-METHYL]-PIPERIDIN-1-YL}-METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2003-12-24 WO claimed
US-7547700-B2 Aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2009-06-16 US disclosed
US-7547700-B2 Aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2009-06-16 US disclosed
US-7547700-B2 Aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2009-06-16 US disclosed
EP-1539738-B1 NOVEL ARYL- 4-HALO-4- HETEROARYLMETHYLAMINO)-METHYL -PIPERIDIN-1-YL -METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PF MEDICAMENT (FR) 2009-03-04 EP disclosed
EP-1539738-B1 NOVEL ARYL- 4-HALO-4- HETEROARYLMETHYLAMINO)-METHYL -PIPERIDIN-1-YL -METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PF MEDICAMENT (FR) 2009-03-04 EP disclosed
US-20060100244-A1 Novel aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2006-05-11 US disclosed
EP-1539738-A1 NOVEL ARYL- 4-HALO-4- HETEROARYLMETHYLAMINO)-METHYL]-PIPERIDIN-1-YL -METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2005-06-15 EP disclosed
WO-2003106449-A1 NOVEL ARYL-{4-HALO-4-[HETEROARYLMETHYLAMINO)-METHYL]-PIPERIDIN-1-YL}-METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2003-12-24 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-20060100244-A1 Novel aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments CYP4B1, CYP4X1, CYP2E1 HTR1A 65/4885DRD2 299/4885DRD4 69/4885

“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.