SCHEMBL23930751

SCHEMBL23930751

CNC(=O)[C@H]1CCCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.54
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL17192652 1.00 GRM4 (0.54) GRM4ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13538882 1.00 GRM4 (0.54) GRM4ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5909473 0.91 GRM4 (0.56) GRM4ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13544810 0.82 GRM4 (0.50) GRM4ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9017695 0.80 EPHX1 (0.54) GRM4ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL150817 0.80 PEPD (0.54) GRM4ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1680973 0.80 PEPD (0.54) GRM4ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4818635 0.80 PEPD (0.54) GRM4ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1805083 0.80 PEPD (0.54) GRM4ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL38660911 0.80 PEPD (0.54) GRM4ALDH1A1LMNAHTTSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139295-B1 ISOQUINILINE NRF2 AGONISTS C4X DISCOVERY LTD (GB) 2025-04-09 EP disclosed
CN-115667242-B Tetrahydroisoquinoline compounds as NRF2 activators 希四克斯探索有限公司 2025-02-28 CN disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
EP-4139295-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4x Discovery Limited (GB) 2023-03-01 EP disclosed
CN-115667242-A Tetrahydroisoquinoline compounds as NRF2 activators 希四克斯探索有限公司 2023-01-31 CN disclosed
WO-2021214472-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2021-10-28 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 (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-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 GRM4 2818/4885ALDH1A1 773/4885LMNA 1899/4885

“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.