SCHEMBL1928344

SCHEMBL1928344

CC(=O)OC1[CH]CCCC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.33
CHRM1 P11229 3/20 0.33
CHRM4 P08173 2/20 0.33
CHRM3 P20309 2/20 0.33
SLC18A3 Q16572 2/20 0.33
EPHX1 P07099 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 4/20 0.31
CA9 Q16790 4/20 0.31
NAAA Q02083 2/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 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
SCHEMBL11042820 0.98 EPHX1 (0.35) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL1930310 0.94
SCHEMBL1928265 0.87
SCHEMBL2541143 0.80 CA12 (0.40) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL2541139 0.80 CA12 (0.40) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL3678451 0.80 RAB9A (0.33) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL3674322 0.79 CA12 (0.34) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL3674320 0.79 CA12 (0.34) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL15750117 0.79 CA12 (0.34) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL2536102 0.79 BCHE (0.33) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191473-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES Esanex, Inc. (US) 2017-07-19 EP claimed
WO-2016040809-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. (US) 2016-03-17 WO claimed
US-20190225587-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. 2019-07-25 US disclosed
US-10246421-B2 Indazolyl- and indolyl-benzamide derivatives ESANEX, INC. (US) 2019-04-02 US disclosed
EP-3191473-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES Esanex, Inc. (US) 2017-07-19 EP disclosed
US-9708273-B2 Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
WO-2016040809-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. (US) 2016-03-17 WO disclosed
US-20160075662-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. 2016-03-17 US disclosed
US-20150031713-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-01-29 US disclosed
US-8883810-B2 Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-4766120-A ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-08-23 US disclosed
US-4663323-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-05-05 US disclosed
EP-0035046-B1 NOVEL TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-10-02 EP disclosed
US-4540703-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1985-09-10 US disclosed
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 US disclosed
US-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
EP-0061425-A2 Thiazole derivatives, processes for their preparation, medicaments containing them and their use CIBA-GEIGY AG (CH) 1982-09-29 EP disclosed
EP-0035046-A1 Novel tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP disclosed
US-3998827-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1976-12-21 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 (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-10246421-B2 Indazolyl- and indolyl-benzamide derivatives IDO2, MKI67, IDO1 CHRM2 4676/4885CHRM1 4661/4885CHRM4 4736/4885
US-20190225587-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES IDO2, MKI67, IDO1 CHRM2 4676/4885CHRM1 4661/4885CHRM4 4736/4885
US-20160075662-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES IDO2, MKI67, IDO1 CHRM2 4676/4885CHRM1 4661/4885CHRM4 4736/4885
US-20150031713-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 CHRM2 6/4885CHRM1 1/4885CHRM4 8/4885
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 CHRM2 6/4885CHRM1 1/4885CHRM4 8/4885

“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.