SCHEMBL21828099

SCHEMBL21828099

COC1(C)CC(OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
OPRL1 P41146 2/20 0.48
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
DPP4 P27487 1/20 0.44
SIGMAR1 Q99720 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
EPHX2 P34913 1/20 0.39
NAAA Q02083 3/20 0.38

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
SCHEMBL21860316 1.00 OPRM1 (0.48) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL22296669 1.00 OPRM1 (0.48) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL22594119 0.85 OPRM1 (0.53) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL28055036 0.81 DPP4 (0.50) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL25347238 0.81 OPRM1 (0.43) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL28543821 0.81 OPRM1 (0.49) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL16700989 0.81 OPRM1 (0.49) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL16975554 0.81 OPRM1 (0.49) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL21827964 0.80 ALDH1A1 (0.47) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL28332053 0.80 OPRM1 (0.43) OPRM1OPRL1CTSLCTSBCTSK

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
WO-2024251282-A1 PENTACYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2024-12-12 WO disclosed
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US disclosed
EP-3860980-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 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-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 OPRM1 4487/4885OPRL1 3994/4885CTSL 3651/4885
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof PHKG1, MAP4K5, HIPK1 OPRM1 4487/4885OPRL1 3994/4885CTSL 3651/4885

“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.