SCHEMBL17740988

SCHEMBL17740988

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.43
▸ GID4 Q8IVV7 2/20 0.39
▸ LDHA P00338 1/20 0.38
▸ TNKS O95271 6/20 0.38
▸ PARP2 Q9UGN5 5/20 0.38
▸ PARP1 P09874 4/20 0.38
▸ EPHX2 P34913 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33

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
SCHEMBL17740878 0.92 SMYD3 (0.45) SMYD3GID4LDHATNKSPARP2
SCHEMBL10285676 0.89 SMYD3 (0.51) SMYD3LDHATNKSPARP2PARP1
SCHEMBL10258237 0.89 SMYD3 (0.51) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17740893 0.89 SMYD3 (0.46) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17740879 0.89 SMYD3 (0.48) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17730317 0.89 SMYD3 (0.44) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17740887 0.88 SMYD3 (0.45) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17740901 0.88 LDHA (0.45) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17740923 0.87 SMYD3 (0.42) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17878883 0.87 SMYD3 (0.44) SMYD3LDHATNKSPARP2PARP1

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 1526/4885GID4 249/4885LDHA 2337/4885
US-20180086751-A1 SWEETENER COMPOSITION TAS2R50, TAS1R2, TAS2R10 SMYD3 297/4885GID4 1057/4885LDHA 1679/4885
US-20160185727-A1 SUBSTITUTED 4-AMINO-5-(CYCLOHEXYLOXY)QUINOLINE-3-CARBOXYLIC ACIDS AS SWEET FLAVOR MODIFIERS TAS2R5, TAS2R4, TAS2R30 SMYD3 1526/4885GID4 249/4885LDHA 2337/4885

“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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