SCHEMBL29652188

SCHEMBL29652188

N#Cc1c(O[C@H]2CC[C@H](CNC(=O)OCc3ccccc3)CC2)cccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
FAAH O00519 2/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSK P43235 2/20 0.40
CTSS P25774 1/20 0.40
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
BCHE P06276 1/20 0.39
AR P10275 2/20 0.39
PREP P48147 2/20 0.38
SGMS2 Q8NHU3 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL17740888 1.00 ACHE (0.40) ACHEFAAHCTSLCTSBCTSK
SCHEMBL17868787 0.87 AR (0.41) ACHEFAAHBCHEARGAA
SCHEMBL17730213 0.78 SMN1; SMN2 (0.35) ARGAACYP2D6CYP2C19ALDH1A1
SCHEMBL620512 0.76 MEN1 (0.43) CYP2D6CYP2C19MEN1MAPTKMT2A
SCHEMBL17730212 0.75 ALDH1A1 (0.38) ACHECYP2D6CYP2C19ALDH1A1MEN1
SCHEMBL8393648 0.74 LMNA (0.58) F13A1TGM2TGM1PREPGAA
SCHEMBL2418216 0.73 PDE5A (0.42) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL2412191 0.73 SCD (0.40) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL621463 0.73 KAT2B (0.38) CYP2D6CYP2C19ALDH1A1MEN1MAPT
SCHEMBL11568337 0.73 PREP (0.53) CTSLCTSBCTSKCTSSF13A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers FIRMENICH INCORPORATED (US) 2022-05-24 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 (1 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 ACHE 1301/4885FAAH 867/4885CTSL 2516/4885

“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.