SCHEMBL17868787

SCHEMBL17868787

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.41
FAAH O00519 2/20 0.39
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPY5R Q15761 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
PDE5A O76074 1/20 0.35
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 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
SCHEMBL29652188 0.87 ACHE (0.40) ARFAAHACHEBCHEPOLB
SCHEMBL17740888 0.87 ACHE (0.40) ARFAAHACHEBCHEPOLB
SCHEMBL620512 0.82 MEN1 (0.43) SMN1; SMN2PDE5ATDP1KDM4ECYP2D6
SCHEMBL17730213 0.82 SMN1; SMN2 (0.35) ARSMN1; SMN2POLBGAACTDSP1
SCHEMBL17730212 0.81 ALDH1A1 (0.38) ACHESMN1; SMN2PDE5ATDP1L3MBTL1
SCHEMBL2418216 0.79 PDE5A (0.42) SMN1; SMN2CTDSP1PDE5ATDP1L3MBTL1
SCHEMBL2412191 0.79 SCD (0.40) SMN1; SMN2CTDSP1PDE5ATDP1L3MBTL1
SCHEMBL621463 0.79 KAT2B (0.38) SMN1; SMN2POLBCTDSP1PDE5AKDM4E
SCHEMBL621717 0.78 PDE9A (0.41) SMN1; SMN2CTDSP1PDE5ATDP1L3MBTL1
SCHEMBL2473267 0.78 FAAH (0.53) ARFAAHACHEBCHESMN1; SMN2

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 2 patents. 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
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 (2 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 AR 4692/4885FAAH 867/4885ACHE 1301/4885
US-20160185727-A1 SUBSTITUTED 4-AMINO-5-(CYCLOHEXYLOXY)QUINOLINE-3-CARBOXYLIC ACIDS AS SWEET FLAVOR MODIFIERS TAS2R5, TAS2R4, TAS2R30 AR 4692/4885FAAH 867/4885ACHE 1301/4885

“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.