SCHEMBL30006633

SCHEMBL30006633

CC(C)(C)OC(=O)N1CC=C(c2ccc(CO)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.53
▸ CYP11B2 P19099 1/20 0.50
▸ GRM1 Q13255 11/20 0.48
▸ GRM5 P41594 11/20 0.48
▸ PDK4 Q16654 1/20 0.48
▸ BTK Q06187 1/20 0.48
▸ GPR119 Q8TDV5 1/20 0.48
▸ WNT3A P56704 1/20 0.47
▸ ATR Q13535 1/20 0.46
▸ CDK7 P50613 1/20 0.45
▸ CDK13 Q14004 1/20 0.45
▸ CDK12 Q9NYV4 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
SCHEMBL1577504 1.00 NAMPT (0.53) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL23554461 0.89 TNF (0.44) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL29550046 0.89 TNF (0.44) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL29891644 0.85 NAMPT (0.55) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL29840385 0.85 NAMPT (0.55) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL15095872 0.85 NAMPT (0.55) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL29840400 0.85 NAMPT (0.55) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL23306173 0.85 NAMPT (0.55) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL14141902 0.85 CYP11B2 (0.52) NAMPTCYP11B2GRM1GRM5PDK4
SCHEMBL12558047 0.84 NAMPT (0.54) NAMPTCYP11B2GRM1GRM5PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-05-26 — — US disclosed
EP-4079734-B1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) 2025-09-17 — — EP disclosed
CN-113423708-B Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2025-04-22 — — CN disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 — — US disclosed
EP-4079734-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2022-10-26 — — EP 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 NAMPT 1468/4885CYP11B2 58/4885GRM1 3433/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 NAMPT 3526/4885CYP11B2 94/4885GRM1 77/4885

“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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