SCHEMBL18559

SCHEMBL18559

O=C(O)C1(C(F)(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.52
FFAR3 O14843 1/20 0.35

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
Hydrochloric Acid SCHEMBL23094114 0.97 DGAT1 (0.50) DGAT1FFAR3
SCHEMBL17586 0.89 DGAT1 (0.43) DGAT1FFAR3
SCHEMBL1786525 0.89 DGAT1 (0.43) DGAT1FFAR3
SCHEMBL25325201 0.88 DGAT1 (0.43) DGAT1
SCHEMBL696271 0.87 DGAT1 (0.41) DGAT1FFAR3
Hydrochloric Acid SCHEMBL12479454 0.85 DGAT1 (0.40) DGAT1
SCHEMBL21826042 0.83 DGAT1 (0.39) DGAT1
SCHEMBL5749625 0.83 DGAT1 (0.39) DGAT1
Hydrochloric Acid SCHEMBL1292454 0.81 DGAT1 (0.38) DGAT1
SCHEMBL27777472 0.79 DGAT1 (0.54) DGAT1

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 1636 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110872230-B Preparation method of 1- (trifluoromethyl) cyclopropane-1-carboxylic acid compound and intermediate thereof 浙江九洲药业股份有限公司 2023-07-28 CN claimed
CN-110054558-B Preparation method of 1-trifluoromethylcyclopropane-1-formic acid 海门瑞一医药科技有限公司 2022-03-25 CN claimed
CN-110872230-A Preparation method and intermediate of 1- (trifluoromethyl) cyclopropane-1-carboxylic acid compound 浙江九洲药业股份有限公司 2020-03-10 CN claimed
CN-110054558-A A kind of preparation method of 1- trifluoromethyl cyclopropane -1- formic acid 海门瑞一医药科技有限公司 2019-07-26 CN claimed
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP claimed
CN-102958922-B 2,5,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-3-base amine or 2,3,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-5-ylamine compounds HOFFMAN-LA ROCHE LTD. (CH) 2015-09-30 CN claimed
US-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-11-13 US claimed
EP-2509966-B1 AMINO OXAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-22 EP claimed
US-8815881-B2 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-26 US claimed
EP-2566855-B1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-05-21 EP claimed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US claimed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP claimed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US claimed
JP-2007500717-A 2007-01-18 JP claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed

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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 DGAT1 4434/4885FFAR3 668/4885
US-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 DGAT1 3613/4885FFAR3 3290/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C DGAT1 4625/4885FFAR3 246/4885

“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.