SCHEMBL909508

SCHEMBL909508

OCC1COc2ccc(C(F)(F)F)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
FFAR1 O14842 3/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
DAO P14920 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA2 P00918 2/20 0.36
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36

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
SCHEMBL909506 1.00 HTT (0.46) HTTLMNAMEN1MAPTKMT2A
SCHEMBL909936 1.00 HTT (0.46) HTTLMNAMEN1MAPTKMT2A
SCHEMBL909948 0.94 HTT (0.46) HTTLMNAMEN1MAPTKMT2A
SCHEMBL909797 0.94 HTT (0.46) HTTLMNAMEN1MAPTKMT2A
SCHEMBL909799 0.94 HTT (0.46) HTTLMNAMEN1MAPTKMT2A
SCHEMBL11783090 0.85 NPC1 (0.42) HTTLMNAMAPTRECQLDRD2
SCHEMBL1041242 0.83 HPGD (0.47) HTTLMNAMEN1MAPTKMT2A
SCHEMBL29481769 0.80 CA2 (0.51) FFAR1DRD2DRD4DRD3CA2
SCHEMBL1043824 0.80 CA2 (0.51) FFAR1DRD2DRD4DRD3CA2
SCHEMBL29444757 0.80 CA2 (0.51) FFAR1DRD2DRD4DRD3CA2

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
EP-2941427-B1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PF MEDICAMENT (FR) 2016-11-09 EP disclosed
US-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2015-11-26 US disclosed
EP-2941427-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Pierre Fabre Médicament (FR) 2015-11-11 EP disclosed
WO-2014106660-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS PIERRE FABRE MEDICAMENT (FR) 2014-07-10 WO disclosed
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
EP-2215054-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS INC (US) 2011-08-31 EP disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
EP-1087964-A1 N-BENZODIOXANYLMETHYL-1-PIPERIDYL-METHYLAMINE COMPOUNDS HAVING AFFINITY FOR 5-HT RECEPTORS KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-04 EP disclosed
US-6136825-A ANTIDEPRESSANTS AND CENTRAL NERVOUS SYSTEM AGENTS KNOLL AKTIENGESELLSCHAFT 2000-10-24 US disclosed
WO-1999062902-A1 N-BENZODIOXANYLMETHYL-1-PIPERIDYL-METHYLAMINE COMPOUNDS HAVING AFFINITY FOR 5-HT RECEPTORS KNOLL AKTIENGESELLSCHAFT (DE) 1999-12-09 WO disclosed
EP-0948498-A1 SULFONAMIDE COMPOUNDS HAVING 5-HT RECEPTOR ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1999-10-13 EP disclosed
WO-1998029411-A1 SULFONAMIDE COMPOUNDS HAVING 5-HT RECEPTOR ACTIVITY KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-09 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 (2 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-20150336943-A1 NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS HCRTR1, HCRTR2, OXSR1 HTT 761/4885LMNA 4453/4885MEN1 3727/4885
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 HTT 3330/4885LMNA 2504/4885MEN1 4561/4885

“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.