SCHEMBL2647482

SCHEMBL2647482

[CH]1CC(OCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSK P43235 1/20 0.53
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
DPP4 P27487 1/20 0.47
TSHR P16473 1/20 0.46
PDPK1 O15530 1/20 0.46
MTOR P42345 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
PRMT8 Q9NR22 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
PSEN1 P49768 3/20 0.45
PSEN2 P49810 3/20 0.45
APH1B Q8WW43 3/20 0.45
NCSTN Q92542 3/20 0.45
APH1A Q96BI3 3/20 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
SCHEMBL1288292 0.87 CTSL (0.53) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL7795390 0.86 CTSL (0.49) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL28718573 0.86 CTSL (0.49) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL7648155 0.83 CTSL (0.46) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL6469380 0.82 OPRM1 (0.59) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL743123 0.79 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL743122 0.79 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL743121 0.79 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL426503 0.79 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL2413105 0.79 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147125-A1 CYCLOBUTYL-SUBSTITUTED PHENOXY-DIOXETANES AND USES THEREOF RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2024-07-11 WO claimed
CN-113750094-A Pyrazole compounds and methods of making and using the same 里格尔药品股份有限公司 2021-12-07 CN claimed
CN-107438603-B Pyrazole compounds and methods of making and using the same 里格尔药品股份有限公司 2021-08-10 CN claimed
EP-3286181-B1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS INC (US) 2021-01-27 EP claimed
EP-3286181-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2018-02-28 EP claimed
WO-2016172560-A1 PYRAZOLE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2016-10-27 WO claimed
US-20040063714-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors CARLING WILLIAM ROBERT (GB) 2004-04-01 US claimed
CN-1110498-C Triazolo-pyridazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME (GB) 2003-06-04 CN claimed
CN-1288465-A Triazolo-pyridazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME (GB) 2001-03-21 CN claimed
EP-1049696-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2000-11-08 EP claimed
WO-1999037644-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-07-29 WO claimed
WO-2024147125-A1 CYCLOBUTYL-SUBSTITUTED PHENOXY-DIOXETANES AND USES THEREOF RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2024-07-11 WO disclosed
CN-117203202-A Quinoxaline derivative and use thereof 黑钻治疗公司 2023-12-08 CN disclosed
CN-116783199-A Pyrazolo [1,5-A ] pyrazine derivatives as BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-09-19 CN disclosed
US-11370808-B2 Pyrazole compounds and methods for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-06-28 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
CN-1110498-C Triazolo-pyridazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME (GB) 2003-06-04 CN disclosed
CN-1288465-A Triazolo-pyridazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME (GB) 2001-03-21 CN 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 (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-11370808-B2 Pyrazole compounds and methods for making and using the compounds IRAK3, IRAK1, IRAK2 CTSL 2019/4885CTSB 2584/4885CTSK 1672/4885
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.