SCHEMBL2650237

SCHEMBL2650237

O=COC1CC(OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ NAAA Q02083 3/20 0.42
▸ OPRM1 P35372 2/20 0.41
▸ OPRL1 P41146 2/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ PRMT8 Q9NR22 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 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
SCHEMBL7038399 0.87 CTSL (0.41) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL20120992 0.83 CTSL (0.45) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL20120990 0.83 CTSL (0.45) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL29284867 0.83 CTSL (0.45) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL24899061 0.81 CTSL (0.46) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL21141929 0.81 CTSL (0.46) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL11023393 0.78 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL989623 0.78 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL25383389 0.78 NAAA (0.47) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL25384979 0.78 CTSL (0.41) CTSLCTSBCTSKNAAAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 — — CN claimed
CN-119954801-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-05-09 — — CN disclosed
CN-114867727-B TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-02-21 — — CN disclosed
CN-118201916-A Piperazinylsulfonylaryl compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-06-14 — — CN disclosed
CN-117203202-A Quinoxaline derivative and use thereof 黑钻治疗公司 2023-12-08 — — CN disclosed
CN-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 — — CN disclosed
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 — — CN disclosed
US-6828322-B2 Substituted 1,2, 4-triazolo(4,3-b)pyridazine derivatives; anxiolytic; anticonvulsant; antimigraine MERCK SHARP & DOHME LTD. 2004-12-07 — — US disclosed
US-20040063714-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors CARLING WILLIAM ROBERT (GB) 2004-04-01 — — US disclosed
US-6579875-B1 Treatment of anxiety and convulsions; 7-cyclobutyl-3-(2,6-difluorophenyl)-6-(2-methyl-2H-1,2,4-triazol-3 -ylmethyoxy)-1,2,4-triazolo(4,3-b) pyridazine MERCK SHARP & DOHME LIMITED 2003-06-17 — — US disclosed
EP-1049696-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-11-08 — — EP disclosed
WO-1999037644-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 — — 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-20040063714-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors GABRA3, GABBR1, GABRA2 CTSL 4658/4885CTSB 4384/4885CTSK 4387/4885

“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.

Send feedback