SCHEMBL21828151

SCHEMBL21828151

CC(O)C1CC(OCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
FFAR1 O14842 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
ACACB O00763 2/20 0.41
NAAA Q02083 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TACR1 P25103 2/20 0.40
AGTR2 P50052 2/20 0.40
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL25011406 0.86 CTSL (0.46) CTSLCTSBCTSKFFAR1OPRM1
SCHEMBL8345619 0.86 CTSL (0.46) CTSLCTSBCTSKFFAR1OPRM1
SCHEMBL21909398 0.84 CTSL (0.43) CTSLCTSBCTSKFFAR1OPRM1
SCHEMBL17140544 0.83 FFAR1 (0.43) CTSLCTSBCTSKFFAR1OPRM1
SCHEMBL21390327 0.81 CTSL (0.45) CTSLCTSBCTSKFFAR1OPRM1
SCHEMBL23294689 0.81 CTSL (0.45) CTSLCTSBCTSKFFAR1OPRM1
SCHEMBL27237847 0.81 BDKRB2 (0.43) CTSLCTSBCTSKFFAR1ACACB
SCHEMBL2413107 0.80 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL743121 0.80 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL2410089 0.80 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-113166062-A 8-aminoisoquinoline compounds and uses thereof 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US 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 CTSL 3651/4885CTSB 3569/4885CTSK 492/4885
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof PHKG1, MAP4K5, HIPK1 CTSL 3651/4885CTSB 3569/4885CTSK 492/4885

“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.