SCHEMBL23959518

SCHEMBL23959518

COc1cccc2c1[C@@H](CN1C(=O)c3ccccc3C1=O)NCC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.45
DYRK1A Q13627 1/20 0.44
GAA P10253 2/20 0.43
OPRM1 P35372 1/20 0.43
CASP3 P42574 1/20 0.43
CASP6 P55212 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
MAOB P27338 2/20 0.40
DRD1 P21728 1/20 0.40
PTPRCAP Q14761 1/20 0.40
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL30422600 1.00 HTR2C (0.45) HTR2CDYRK1AGAAOPRM1CASP3
SCHEMBL24174623 1.00 HTR2C (0.45) HTR2CDYRK1AGAAOPRM1CASP3
SCHEMBL23959519 0.83 PARP1 (0.42) ALDH1A1MAPTPARP1KDM4E
SCHEMBL30421259 0.83 PARP1 (0.42) ALDH1A1MAPTPARP1KDM4E
SCHEMBL24174326 0.83 PARP1 (0.42) ALDH1A1MAPTPARP1KDM4E
Hydrochloric Acid SCHEMBL23930741 0.82 KEAP1 (0.38) PARP1
Hydrochloric Acid SCHEMBL23930745 0.82 KEAP1 (0.38) PARP1
SCHEMBL24174621 0.81 ALDH1A1 (0.38) HTR2CDYRK1AALDH1A1MAPTKDM4E
SCHEMBL24174625 0.81 HTR2C (0.39) HTR2CDYRK1AGAAALDH1A1MAPT
SCHEMBL25264489 0.81 ALDH1A1 (0.38) HTR2CDYRK1AALDH1A1MAPTKDM4E

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
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
US-20220002286-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2022-01-06 US 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 (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-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 HTR2C 1454/4885DYRK1A 3964/4885GAA 1299/4885
US-20220002286-A1 THERAPEUTIC COMPOUNDS NFE2L2, KEAP1, NQO1 HTR2C 3770/4885DYRK1A 4764/4885GAA 265/4885

“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.