SCHEMBL19013496

SCHEMBL19013496

Cc1cccc2c1cc(CCl)n2C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 13/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NR1H3 Q13133 3/20 0.38
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ SLC9A1 P19634 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
SCHEMBL29631856 1.00 NR1H2 (0.42) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL19013560 0.88 NR1H2 (0.43) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL29631890 0.87 NR1H2 (0.42) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL18989947 0.87 NR1H2 (0.42) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL29631844 0.86 CHRM2 (0.43) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL19013509 0.86 NR1H2 (0.41) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL18992345 0.86 CHRM2 (0.43) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL19013514 0.85 MTNR1B (0.45) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL19013510 0.84 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL30721523 0.81 NQO2 (0.46) NR1H2

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 6 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
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

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-11370792-B2 Caffeine inhibitors of MTHFD2 and uses thereof MTHFD2, MTHFD1, NUDT15 NR1H2 2475/4885CHRM2 3043/4885CHRM4 4060/4885
US-20230067237-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 NR1H2 2475/4885CHRM2 3043/4885CHRM4 4060/4885
US-20180370972-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF MTHFD2, MTHFD1, NUDT15 NR1H2 2475/4885CHRM2 3043/4885CHRM4 4060/4885

“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.

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