SCHEMBL2133036

SCHEMBL2133036

COC(=O)c1cc2c(C)cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NR1H2 P55055 11/20 0.40
SLC9A1 P19634 1/20 0.40
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA1 P14867 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37
PLA2G10 O15496 1/20 0.36
F10 P00742 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LDHA P00338 1/20 0.36
NR1H3 Q13133 1/20 0.35

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
SCHEMBL29631921 1.00 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL12570686 0.92 GABRG2 (0.43) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL5624787 0.88 F10 (0.48) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL19013035 0.86 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL19013036 0.86 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL19013034 0.86 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL19013606 0.86 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL19013039 0.84 LDHA (0.48) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL2138912 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL18537881 0.83 NR1H2 (0.53) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 US disclosed
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 US disclosed
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-06-28 US disclosed
EP-3632899-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RaQualia Pharma Inc. (JP) 2020-04-08 EP disclosed
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 EP disclosed
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2018-12-27 US disclosed
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 WO disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
WO-2010137351-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2010-12-02 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 (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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H CHRM2 2345/4885CHRM4 1990/4885CHRM1 1971/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H CHRM2 2296/4885CHRM4 1949/4885CHRM1 1945/4885
US-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 CHRM2 3043/4885CHRM4 4060/4885CHRM1 3855/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 CHRM2 3043/4885CHRM4 4060/4885CHRM1 3855/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 CHRM2 3043/4885CHRM4 4060/4885CHRM1 3855/4885

“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.