SCHEMBL2025850

SCHEMBL2025850

NCCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.76
MAOB P27338 4/20 0.66
IDO1 P14902 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
MIF P14174 1/20 0.47
FDFT1 P37268 2/20 0.46
HRH1 P35367 2/20 0.45
MAOA P21397 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
Hydrochloric Acid SCHEMBL5154716 0.98 TAAR1 (0.73) TAAR1MAOBIDO1HDAC1HDAC8
SCHEMBL5200498 0.94 TAAR1 (0.73) TAAR1MAOBIDO1HDAC1HDAC8
SCHEMBL2094283 0.92 TAAR1 (0.70) TAAR1MAOBIDO1HDAC1HDAC8
SCHEMBL2093159 0.92 TAAR1 (0.70) TAAR1MAOBIDO1HDAC1HDAC8
SCHEMBL625402 0.86 TAAR1 (1.00) TAAR1MAOBIDO1
SCHEMBL28234872 0.84 TAAR1 (0.65) TAAR1MAOBIDO1HDAC1HDAC8
Iodide SCHEMBL28689118 0.84 TAAR1 (0.95) TAAR1MAOBIDO1MIF
Bromide SCHEMBL28801000 0.84 TAAR1 (0.95) TAAR1MAOBIDO1MIF
Hydrochloric Acid SCHEMBL4369846 0.84 TAAR1 (0.95) TAAR1MAOBIDO1MIF
SCHEMBL5096895 0.83 TAAR1 (0.63) TAAR1MAOBIDO1HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2005011654-A2 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
EP-3914351-A1 CARBAMATE DERIVATIVES AND USES THEREOF Nodthera Limited (GB) 2021-12-01 EP disclosed
WO-2020152361-A1 CARBAMATE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-07-30 WO disclosed
EP-3087060-A1 PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-11-02 EP disclosed
WO-2015096651-A1 PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-02 WO disclosed
CN-102134214-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2013-05-22 CN disclosed
EP-0314422-B1 N-PHENYLALKYLBENZAMIDE FUNGICIDES DOWELANCO (US) 1993-07-28 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
US-4533655-A Analgesic dipeptide amides and method of use and compositions thereof STERLING DRUG INC. (US) 1985-08-06 US disclosed
US-3953458-A HYPOTENSIVE AGENTS MARION LABORATORIES, INC. (US) 1976-04-27 US 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-20060293308-A1 Pyridyl derivatives and their use as therapeutic agents PRMT9, SNRPD3, PRDX5 TAAR1 3878/4885MAOB 1532/4885IDO1 2457/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 TAAR1 2558/4885MAOB 3255/4885IDO1 1601/4885

“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.