SCHEMBL17878982

SCHEMBL17878982

CCc1nc2cccc(O[C@H]3CC[C@H](C(C)(C)C)CC3)c2c(N)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.41
▸ S1PR5 Q9H228 12/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL17878854 0.89 MCHR1 (0.43) ENPP2CYP19A1MAPT
SCHEMBL17730237 0.89 USP2 (0.35) ENPP2MAPT
SCHEMBL17878849 0.89 MCHR1 (0.43) ENPP2CYP19A1MAPT
SCHEMBL17878978 0.88 MCHR1 (0.40) MAPTGAA
SCHEMBL21281383 0.88 MCHR1 (0.40) MAPTGAA
SCHEMBL17878857 0.87 USP2 (0.35) ENPP2MAPT
SCHEMBL17740880 0.87 ENPP2 (0.41) ENPP2S1PR5MAPT
SCHEMBL17878868 0.85 ENPP2 (0.34) ENPP2MAPT
SCHEMBL17878879 0.85 CARM1 (0.36) MAPT
SCHEMBL17878873 0.82 LDHA (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240065302-A1 SWEETENER COMPOSITIONS COMPRISING MOGROSIDES AND USES THEREOF FIRMENICH INCORPORATED 2024-02-29 — — US disclosed
US-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers FIRMENICH INCORPORATED (US) 2022-05-24 — — US disclosed
US-20180086751-A1 SWEETENER COMPOSITION SENOMYX, INC. 2018-03-29 — — US disclosed
US-20160185727-A1 SUBSTITUTED 4-AMINO-5-(CYCLOHEXYLOXY)QUINOLINE-3-CARBOXYLIC ACIDS AS SWEET FLAVOR MODIFIERS FIRMENICH INCORPORATED 2016-06-30 — — 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-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers TAS2R5, TAS2R4, TAS2R30 ENPP2 2528/4885S1PR5 2622/4885CYP19A1 4656/4885
US-20180086751-A1 SWEETENER COMPOSITION TAS2R50, TAS1R2, TAS2R10 ENPP2 3108/4885S1PR5 855/4885CYP19A1 3565/4885
US-20160185727-A1 SUBSTITUTED 4-AMINO-5-(CYCLOHEXYLOXY)QUINOLINE-3-CARBOXYLIC ACIDS AS SWEET FLAVOR MODIFIERS TAS2R5, TAS2R4, TAS2R30 ENPP2 2528/4885S1PR5 2622/4885CYP19A1 4656/4885

“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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