SCHEMBL1024269

SCHEMBL1024269

O=CN1CCNCC1c1cc(F)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 0.43
HTR2A P28223 15/20 0.43
HTR2B P41595 14/20 0.43
CYP3A4 P08684 1/20 0.39
TACR1 P25103 1/20 0.37

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 SCHEMBL224424 0.99 HTR2C (0.42) HTR2CHTR2AHTR2BCYP3A4TACR1
Hydrochloric Acid SCHEMBL2849333 0.80 HTR2C (0.40) HTR2CHTR2AHTR2BTACR1
SCHEMBL2337017 0.75 DPP4 (0.40) HTR2CHTR2AHTR2B
SCHEMBL29138915 0.73 HTR2C (0.43) HTR2CHTR2AHTR2B
SCHEMBL2336871 0.73 RIPK1 (0.40) HTR2CHTR2AHTR2B
SCHEMBL29138927 0.73 HTR2C (0.43) HTR2CHTR2AHTR2B
SCHEMBL29138924 0.73 HTR2C (0.43) HTR2CHTR2AHTR2B
SCHEMBL4430758 0.71 HTR2C (0.50) HTR2CHTR2AHTR2B
SCHEMBL27864766 0.71 HTR2C (0.51) HTR2CHTR2AHTR2B
SCHEMBL27847783 0.71 HTR2C (0.51) HTR2CHTR2AHTR2B

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827438-B2 PIPERAZIN DERIVATIVES FOR INHIBITING HUMAN STEAROYL-COA-DESATURASE XENON PHARMACEUTICALS INC (CA) 2014-12-10 EP disclosed
EP-1651606-B1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-10-24 EP disclosed
US-8153636-B2 Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-04-10 US disclosed
EP-2316457-A1 Pyridine derivatives for inhibiting human stearoyl-coa-desaturase Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
EP-2316825-A1 Pyridyl derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
EP-1827438-B1 PYRIDINE DERIVATIVES FOR INHIBITING HUMAN STEAROYL-COA-DESATURASE XENON PHARMACEUTICALS INC (CA) 2011-01-12 EP disclosed
US-7759348-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-07-20 US disclosed
US-7754711-B2 Antidiabetic agents; disease of glucose tolerance; insulin resistance; obesity; dyslipidemia; metabolic disorders; liver disorders XENON PHARMACEUTICALS INC. (CA) 2010-07-13 US disclosed
US-20100048584-A1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-02-25 US disclosed
US-7605161-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) 2009-10-20 US disclosed
US-20080167321-A1 Pyridine Derivatives For Inhibiting Human Stearoyl-Coa-Desaturase XENON PHARMACEUTICALS INC. (CA) 2008-07-10 US disclosed
EP-1827438-A2 PYRIDINE DERIVATIVES FOR INHIBITING HUMAN STEAROYL-COA-DESATURASE XENON PHARMACEUTICALS INC. (CA) 2007-09-05 EP disclosed
US-20060199802-A1 Pyridyl derivatives and their use as therapeutic agents DISCOVERY PARTNERS INTERNATIONAL, INC. 2006-09-07 US disclosed
EP-1651606-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-05-03 EP disclosed
WO-2006034446-A2 PYRIDINE DERIVATIVES FOR INHIBITING HUMAN STEAROYL-COA-DESATURASE XENON PHARMACEUTICALS INC. (CA) 2006-03-30 WO disclosed
WO-2005011656-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 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 (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-20100048584-A1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS PRMT9, SNRPD3, SCD HTR2C 4259/4885HTR2A 1676/4885HTR2B 2212/4885
US-20080167321-A1 Pyridine Derivatives For Inhibiting Human Stearoyl-Coa-Desaturase SCD, SCD5, FADS2 HTR2C 4448/4885HTR2A 3095/4885HTR2B 3761/4885
US-20060199802-A1 Pyridyl derivatives and their use as therapeutic agents PYCR1, PNPO, UQCRC1 HTR2C 2955/4885HTR2A 1410/4885HTR2B 1690/4885

“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.