SCHEMBL6774598

SCHEMBL6774598

I[C@H]1C[C@H](OCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
NAAA Q02083 5/20 0.46
OPRM1 P35372 2/20 0.45
OPRL1 P41146 2/20 0.45
DPP4 P27487 1/20 0.45
TSHR P16473 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
IDO1 P14902 1/20 0.40
PDPK1 O15530 1/20 0.40
MTOR P42345 1/20 0.40
CYP2C19 P33261 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 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
SCHEMBL2647479 1.00 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL20178567 0.82 CTSL (0.51) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL12482253 0.82 CTSL (0.51) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL28602926 0.81 NAAA (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL24661987 0.80 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL426503 0.80 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL2413107 0.80 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL2410089 0.80 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL741694 0.80 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL11023393 0.80 CTSL (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025054369-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 WO 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

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.