SCHEMBL23411518

SCHEMBL23411518

COc1ccc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.55
▸ USP2 O75604 8/20 0.55
▸ ALDH1A1 P00352 8/20 0.55
▸ CYP2C9 P11712 7/20 0.55
▸ MAPK1 P28482 5/20 0.55
▸ CYP2C19 P33261 5/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HIF1A Q16665 6/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ HSD17B10 Q99714 5/20 0.53
▸ CYP1A2 P05177 5/20 0.53
▸ MAPT P10636 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP2D6 P10635 4/20 0.53
▸ TSHR P16473 3/20 0.53
▸ TP53 P04637 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HPGD P15428 1/20 0.51

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
SCHEMBL485392 0.93 CYP11B2 (0.54) CYP3A4USP2ALDH1A1CYP2C9MAPK1
SCHEMBL29933261 0.88 GPR119 (0.62) CYP3A4USP2ALDH1A1CYP2C9MAPK1
SCHEMBL31683385 0.88 CYP11B2 (0.51) CYP3A4USP2ALDH1A1CYP2C9MAPK1
SCHEMBL23411493 0.87 CYP3A4 (0.53) CYP3A4USP2ALDH1A1CYP2C9MAPK1
SCHEMBL29933185 0.87 CYP3A4 (0.53) CYP3A4USP2ALDH1A1CYP2C9MAPK1
SCHEMBL23440345 0.87 CTSB (0.51) CYP3A4USP2ALDH1A1CYP2C9MAPK1
SCHEMBL23412152 0.86 CYP3A4 (0.64) CYP3A4USP2ALDH1A1CYP2C9MAPK1
SCHEMBL31683443 0.85 CYP11B2 (0.48) CYP3A4USP2ALDH1A1CYP2C9MAPK1
SCHEMBL485072 0.84 CYP3A4 (0.67) CYP3A4ALDH1A1CYP2C9MAPK1CYP2C19
SCHEMBL2694775 0.83 SMN1; SMN2 (0.47) CYP3A4USP2ALDH1A1CYP2C9MAPK1

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
CN-115210238-B Substituted aminoquinolones as dgkα inhibitors for immune activation 拜耳公司 2024-08-27 — — CN disclosed
US-20230064809-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 — — US disclosed
CN-115210238-A Substituted aminoquinolones as DGK alpha inhibitors for immune activation 拜耳公司 2022-10-18 — — CN disclosed
EP-4065584-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION Bayer Aktiengesellschaft (DE) 2022-10-05 — — EP disclosed
WO-2021105116-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 — — WO disclosed
WO-2021105116-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 — — 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-20230064809-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA CYP3A4 3233/4885USP2 3210/4885ALDH1A1 4261/4885

“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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