SCHEMBL18992345

SCHEMBL18992345

CC(C)(C)OC(=O)n1c(CCl)cc2c(Br)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ NR1H2 P55055 11/20 0.41
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NR1H3 Q13133 3/20 0.37
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRA6 Q16445 1/20 0.34

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
SCHEMBL29631844 1.00 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL19013504 0.89 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL31303052 0.86 CHRM2 (0.42) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL29631856 0.86 NR1H2 (0.42) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL19013496 0.86 NR1H2 (0.42) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL29631890 0.86 NR1H2 (0.42) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL18989947 0.86 NR1H2 (0.42) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL19013509 0.85 NR1H2 (0.41) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL19013514 0.84 MTNR1B (0.45) CHRM2CHRM4CHRM1CHRM3NR1H2
SCHEMBL19013510 0.83 NR1H2 (0.40) CHRM2CHRM4CHRM1CHRM3NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof RAZE THERAPEUTICS, INC. (US) 2025-01-07 — — 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-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. 2018-12-27 — — US disclosed
EP-3389664-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF Raze Therapeutics Inc. (US) 2018-10-24 — — EP disclosed
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 — — WO disclosed
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 — — WO disclosed
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-08 — — 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-12187728-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 CHRM2 3043/4885CHRM4 4060/4885CHRM1 3855/4885
US-20150284391-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, GOT1 CHRM2 4753/4885CHRM4 4707/4885CHRM1 4727/4885
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.

Send feedback