SCHEMBL2316007

SCHEMBL2316007

NC(=O)CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
FFAR1 O14842 2/20 0.54
PDPK1 O15530 1/20 0.53
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
MAOB P27338 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
NR3C2 P08235 1/20 0.49
IDO1 P14902 3/20 0.49
HRH3 Q9Y5N1 2/20 0.47
CAPN1 P07384 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL3634320 0.95 MAOB (0.59) TAAR1FFAR1PDPK1PLAAT3PLAAT5
SCHEMBL934147 0.91 HDAC1 (0.57) TAAR1FFAR1PDPK1PLAAT3PLAAT5
Hydrochloric Acid SCHEMBL30882461 0.89 HDAC1 (0.55) TAAR1FFAR1PDPK1PLAAT3PLAAT5
SCHEMBL25138775 0.89 HDAC1 (0.59) TAAR1FFAR1PDPK1PLAAT3PLAAT5
Trifluoroacetic Acid SCHEMBL4788988 0.89 MAOB (0.53) TAAR1FFAR1PDPK1PLAAT3PLAAT5
SCHEMBL934424 0.87 HDAC1 (0.58) TAAR1FFAR1PDPK1MAOBHDAC1
Cadaverine Tartrate SCHEMBL3634787 0.85 MAOB (0.49) TAAR1FFAR1PDPK1PLAAT3PLAAT5
SCHEMBL7332151 0.84 FFAR1 (0.57) TAAR1FFAR1PDPK1PLAAT3PLAAT5
SCHEMBL11801516 0.82 FFAR1 (0.55) TAAR1FFAR1PDPK1PLAAT3PLAAT5
SCHEMBL117230 0.82 FFAR1 (0.73) TAAR1FFAR1PDPK1PLAAT3PLAAT5

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428754-A Two ring Quinazol derivatives 豪夫迈·罗氏有限公司 2017-12-01 CN claimed
EP-1651605-B1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-05-02 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
US-7763618-B2 1-Pentyl-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-yl]-pyridin-3-yl}urea; inhibitors of stearoyl-CoA desaturase; cardiovascular disease, diabetes, obesity, metabolic syndrome XENON PHARMACEUTICALS INC. (CA) 2010-07-27 US claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US claimed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP claimed
JP-2007500716-A 2007-01-18 JP claimed
US-20060293308-A1 Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-12-28 US claimed
EP-1708992-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-10-11 EP claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1651605-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-05-03 EP claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
WO-2005080324-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-09-01 WO claimed
EP-1067113-B1 Process for the preparation of phenethylamines and intermediates therefor LANXESS DEUTSCHLAND GMBH (DE) 2005-07-20 EP claimed
WO-2005011654-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO claimed
EP-3632892-B1 METHOD FOR PRODUCING 3-ARYLPROPIONAMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2024-07-31 EP disclosed
US-4957533-A THIOAMIDES, AMIDINES ELI LILLY AND COMPANY (US) 1990-09-18 US disclosed
EP-0314422-A2 N-phenylalkylbenzamide fungicides DOWELANCO (US) 1989-05-03 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 (3 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-20060293308-A1 Pyridyl derivatives and their use as therapeutic agents PRMT9, SNRPD3, PRDX5 TAAR1 3878/4885FFAR1 685/4885PDPK1 1634/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 TAAR1 2558/4885FFAR1 27/4885PDPK1 1679/4885
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 TAAR1 4300/4885FFAR1 3097/4885PDPK1 2290/4885

“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.