SCHEMBL436732

SCHEMBL436732

Fc1ccccc1C#CCBr

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.40
ECE1 P42892 7/20 0.40
GRM5 P41594 4/20 0.39
HCAR2 Q8TDS4 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
TRPV3 Q8NET8 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
IKBKB O14920 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL5392887 0.78 MME (0.40) MMEECE1GRM5HCAR2CHRM2
SCHEMBL29493529 0.78 GRM5 (0.42) MMEECE1GRM5HCAR2CHRM2
SCHEMBL29745157 0.78 CYP2C19 (0.50) MMEECE1GRM5HCAR2CHRM2
SCHEMBL17771436 0.78 GRM5 (0.42) MMEECE1GRM5HCAR2CHRM2
SCHEMBL29633563 0.78 MME (0.43) MMEECE1GRM5HCAR2CHRM2
SCHEMBL23122854 0.78 CYP2C19 (0.50) MMEECE1GRM5HCAR2CHRM2
SCHEMBL2163949 0.78 MME (0.43) MMEECE1GRM5HCAR2CHRM2
SCHEMBL29251289 0.78 GRM5 (0.52) MMEECE1GRM5PTGDR2TRPV3
SCHEMBL28016125 0.77 GRM5 (0.43) MMEECE1GRM5HCAR2PTGDR2
Charcoal, Activated SCHEMBL31286314 0.76 GRM5 (0.50) MMEECE1GRM5PTGDR2TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2986616-B1 TRICYCLIC TRIAZOLIC COMPOUNDS AS SIGMA RECEPTORS LIGANS ESTEVE LABOR DR (ES) 2017-03-29 EP disclosed
US-9512142-B2 Tricyclic triazolic compounds LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-12-06 US disclosed
US-20160060275-A1 TRICYCLIC TRIAZOLIC COMPOUNDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2016-03-03 US disclosed
EP-2986616-A1 TRICYCLIC TRIAZOLIC COMPOUNDS AS SIGMA RECEPTORS LIGANS Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-02-24 EP disclosed
WO-2014170494-A1 TRICYCLIC TRIAZOLIC COMPOUNDS AS SIGMA RECEPTORS LIGANS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2014-10-23 WO disclosed
EP-2792679-A1 Tricyclic triazolic compounds Laboratorios Del. Dr. Esteve, S.A. (ES) 2014-10-22 EP disclosed
US-8362011-B2 Tricyclic triazolic compounds LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-01-29 US disclosed
US-8362011-B2 Tricyclic triazolic compounds LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-01-29 US disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
EP-2227476-B1 TRICYCLIC TRIAZOLIC COMPOUNDS ESTEVE LABOR DR (ES) 2011-09-07 EP disclosed
US-20100298309-A1 TRICYCLIC TRIAZOLIC COMPOUNDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-11-25 US disclosed
EP-2227476-A1 TRICYCLIC TRIAZOLIC COMPOUNDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-09-15 EP disclosed
EP-2070933-A1 Tricyclic triazolic compounds Laboratorios del Dr. Esteve S.A. (ES) 2009-06-17 EP disclosed
EP-2070933-A1 Tricyclic triazolic compounds Laboratorios del Dr. Esteve S.A. (ES) 2009-06-17 EP disclosed
WO-2009071657-A1 TRICYCLIC TRIAZOLIC COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-11 WO disclosed
WO-2009071657-A1 TRICYCLIC TRIAZOLIC COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-11 WO disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
EP-0749430-B1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PROD (US) 1999-08-25 EP disclosed
US-5605918-A SUBSTITUTED THIAZOLIDINE-2,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-25 US disclosed
US-5574051-A HYPOGLYCEMIC AMERICAN HOME PRODUCTS CORPORATION (US) 1996-11-12 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 (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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 MME 2448/4885ECE1 2187/4885GRM5 1/4885
US-20100298309-A1 TRICYCLIC TRIAZOLIC COMPOUNDS SIGMAR1, OPRK1, OPRM1 MME 2706/4885ECE1 1921/4885GRM5 330/4885
US-20160060275-A1 TRICYCLIC TRIAZOLIC COMPOUNDS SIGMAR1, OPRK1, OPRM1 MME 2501/4885ECE1 2739/4885GRM5 252/4885

“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.