SCHEMBL17740908

SCHEMBL17740908

CNC(C)(C)C(=O)N[C@H]1CC[C@H](Oc2cccc3nc(C)c(C(=O)O)c(N)c23)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ LDHA P00338 1/20 0.33
▸ S1PR5 Q9H228 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ AR P10275 2/20 0.33
▸ SSTR4 P31391 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32

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
SCHEMBL17878858 0.88 SMYD3 (0.39) SMYD3MEN1KMT2AEPHX2LDHA
SCHEMBL17740878 0.85 SMYD3 (0.45) SMYD3MEN1KMT2AEPHX2LDHA
SCHEMBL10260443 0.84 SMYD3 (0.39) SMYD3MEN1KMT2AEPHX2LDHA
SCHEMBL621055 0.84 SMYD3 (0.39) SMYD3MEN1KMT2AEPHX2LDHA
SCHEMBL17740893 0.84 SMYD3 (0.46) SMYD3MEN1KMT2AEPHX2LDHA
SCHEMBL17740879 0.84 SMYD3 (0.48) SMYD3MEN1KMT2AEPHX2LDHA
SCHEMBL17740895 0.84 SMYD3 (0.42) SMYD3MEN1KMT2AEPHX2LDHA
SCHEMBL17740918 0.84 SMYD3 (0.38) SMYD3MEN1KMT2AEPHX2LDHA
SCHEMBL17730198 0.84 MCHR1 (0.46) SMYD3MEN1KMT2ATP53HSD17B10
SCHEMBL21281167 0.84 MCHR1 (0.46) SMYD3MEN1KMT2ATP53HSD17B10

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 5 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
WO-2016073251-A1 SUBSTITUTED 4-AMINO-5-(CYCLOHEXYLOXY)QUINOLINE-3-CARBOXYLIC ACIDS AS SWEET FLAVOR MODIFIERS SENOMYX, INC. (US) 2016-05-12 — — 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-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers TAS2R5, TAS2R4, TAS2R30 SMYD3 1526/4885MEN1 3175/4885KMT2A 1024/4885
US-20180086751-A1 SWEETENER COMPOSITION TAS2R50, TAS1R2, TAS2R10 SMYD3 297/4885MEN1 232/4885KMT2A 605/4885
US-20160185727-A1 SUBSTITUTED 4-AMINO-5-(CYCLOHEXYLOXY)QUINOLINE-3-CARBOXYLIC ACIDS AS SWEET FLAVOR MODIFIERS TAS2R5, TAS2R4, TAS2R30 SMYD3 1526/4885MEN1 3175/4885KMT2A 1024/4885

“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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