SCHEMBL2881587

SCHEMBL2881587

CC(C)(C)[Si](C)(C)OCc1ccc(CO)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
BACE1 P56817 1/20 0.32
RXRA P19793 3/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2B Q13224 3/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
DRD2 P14416 1/20 0.30
USP14 P54578 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL29549918 1.00 NPC1 (0.37) NPC1POLBRAB9ACYSLTR1PPARG
SCHEMBL4014531 0.89 NPC1 (0.33) NPC1POLBRAB9ACYSLTR1BACE1
SCHEMBL31601511 0.86 PPARG (0.34) PPARGRXRA
SCHEMBL23554539 0.84 PREP (0.35) NPC1POLBRAB9ARXRAGRIN1
SCHEMBL20757569 0.84 DRD2 (0.33) DRD2
SCHEMBL24247636 0.84
SCHEMBL29185149 0.81 ESR1 (0.44) BACE1
SCHEMBL3178345 0.81 PPARG (0.40) POLBPPARGPPARABACE1USP14
SCHEMBL31628296 0.81 SMN1; SMN2 (0.41) NPC1RAB9AFYN
SCHEMBL5728406 0.81

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 53 patents — showing the first 20. 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
WO-2024173646-A1 CYCLIN-DEPENDENT KINASE DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-08-22 WO disclosed
CN-114302886-B Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-03-22 CN disclosed
EP-3689868-B1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS INC (US) 2023-09-27 EP 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
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
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
US-20220388984-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2022-12-08 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
CN-106458995-A 2-(3-pyridinyl)-1H-benzimidazole derivative compound and medicine containing same 日本医事物理股份有限公司 2017-02-22 CN disclosed
US-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 EP disclosed
EP-0891415-A1 CLEANING AGENT WITH OLIGOAMMINE ACTIVATOR COMPLEXES FOR PEROXIDE COMPOUNDS Henkel Kommanditgesellschaft auf Aktien (DE) 1999-01-20 EP disclosed
US-5821255-A REGULATING THE SECRETION OF CORTICOTROPIN, BETA-ENDORPHIN OR PEPTIDES DERIVED FROM PROOPIOMELANOCORTIN SANOFI (FR) 1998-10-13 US disclosed
EP-0659747-B1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-04-01 EP disclosed
WO-1997036986-A1 CLEANING AGENT WITH OLIGOAMMINE ACTIVATOR COMPLEXES FOR PEROXIDE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-10-09 WO disclosed
US-5602132-A USEFUL IN TREATMENT OF PATHOLOGIES INVOLVING CORTICOTROPIN RELEASING FACTOR SANOFI (FR) 1997-02-11 US disclosed
CN-1127252-A Branched-amino-sbustituted thiazoles, processes for their preparation and the pharmaceutical compositions which contain them SANOFI SA (FR) 1996-07-24 CN disclosed
EP-0659747-A1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-06-28 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 (4 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 NPC1 1320/4885POLB 3160/4885RAB9A 4055/4885
US-20220388984-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL NPC1 3706/4885POLB 4147/4885RAB9A 3694/4885
US-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R NPC1 3941/4885POLB 3709/4885RAB9A 4085/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 NPC1 357/4885POLB 3951/4885RAB9A 3820/4885

“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.