SCHEMBL17586

SCHEMBL17586

O=C(O)C1(C(F)(F)F)CCC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
RIPK1 Q13546 2/20 0.34
FFAR3 O14843 1/20 0.32
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1786525 0.95 DGAT1 (0.43) DGAT1RIPK1FFAR3CYP2C19
SCHEMBL696271 0.92 DGAT1 (0.41) DGAT1RIPK1FFAR3CYP2C19
Hydrochloric Acid SCHEMBL12479454 0.90 DGAT1 (0.40) DGAT1RIPK1CYP2C19
SCHEMBL18559 0.89 DGAT1 (0.52) DGAT1FFAR3
Hydrochloric Acid SCHEMBL23094114 0.86 DGAT1 (0.50) DGAT1FFAR3
SCHEMBL24868035 0.81 DGAT1 (0.38) DGAT1RIPK1
SCHEMBL28799046 0.81 DGAT1 (0.44) DGAT1RIPK1
SCHEMBL25327625 0.80 FFAR3 (0.35) DGAT1FFAR3
SCHEMBL25325201 0.78 DGAT1 (0.43) DGAT1
SCHEMBL21826042 0.78 DGAT1 (0.39) 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 447 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140350051-A1 Dual Modulators Of 5HT2A and D3 Receptors HOFFMAN-LA ROCHE INC. 2014-11-27 US claimed
EP-2183245-B1 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-07-09 EP 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-20130165432-A1 Dual Modulators of 5HT2A and D3 Receptors HOFFMANN-LA ROCHE INC. (US) 2013-06-27 US claimed
EP-2603496-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP claimed
EP-2566855-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-03-13 EP claimed
WO-2012019966-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO claimed
US-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-02-16 US claimed
EP-2183245-A2 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2010-05-12 EP claimed
WO-2009013212-A2 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO claimed
EP-4747258-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Tenvie Therapeutics, Inc. (US) 2026-05-27 EP disclosed
EP-3802500-B1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2026-05-27 EP disclosed
US-12606533-B2 3-phenylpropylamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-04-21 US disclosed
US-20260092047-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMA (US) 2026-04-02 US disclosed
EP-4712969-A1 CYCLIN INHIBITORS Circle Pharma, Inc. (US) 2026-03-25 EP disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007051810-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO disclosed
CN-1045291-C Therapeutic agents BOOTS CO PLC (GB) 1999-09-29 CN disclosed
CN-1096780-A Therapeutic agents containing novel tetrahydroisoquinoline compounds BOOTS CO PLC (GB) 1994-12-28 CN 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 (5 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-20130165432-A1 Dual Modulators of 5HT2A and D3 Receptors HTR2A, HTR3A, HTR1A DGAT1 4014/4885RIPK1 2276/4885FFAR3 357/4885
US-20260092047-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SLC26A3, SLC26A4 DGAT1 1003/4885RIPK1 3659/4885FFAR3 126/4885
US-12606533-B2 3-phenylpropylamine derivative SF3A1, SF1, HTR1D DGAT1 3259/4885RIPK1 3875/4885FFAR3 109/4885
US-20140350051-A1 Dual Modulators Of 5HT2A and D3 Receptors HTR2A, HTR3A, HTR1A DGAT1 4014/4885RIPK1 2276/4885FFAR3 357/4885
US-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A DGAT1 4014/4885RIPK1 2276/4885FFAR3 357/4885

“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.