SCHEMBL18399130

SCHEMBL18399130

Cc1nc(Cl)cc(C2CC(OCc3ccccc3)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ OPRM1 P35372 2/20 0.36
▸ OPRL1 P41146 2/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ PSEN1 P49768 2/20 0.34
▸ PSEN2 P49810 2/20 0.34
▸ APH1B Q8WW43 2/20 0.34
▸ NCSTN Q92542 2/20 0.34
▸ APH1A Q96BI3 2/20 0.34
▸ PSENEN Q9NZ42 2/20 0.34
▸ NAAA Q02083 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ PRMT8 Q9NR22 1/20 0.34

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
SCHEMBL21796656 1.00 CTSL (0.36) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL21796852 1.00 CTSL (0.36) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL22873623 0.85 MEN1 (0.36) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL18399230 0.85 MEN1 (0.36) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL22873624 0.85 MEN1 (0.36) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL18399197 0.85 CTSL (0.36) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL24156138 0.80 CTSL (0.40) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL21384364 0.80 CTSL (0.40) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL26685415 0.73 KCNH2 (0.40) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL22873629 0.72 MEN1 (0.36) 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
CN-108137510-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2021-07-20 — — CN disclosed
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 — — US disclosed
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 — — EP disclosed
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 — — EP disclosed
US-20200079777-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-12 — — US disclosed
EP-3325449-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-05-30 — — EP disclosed
WO-2017012576-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 — — 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-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 CTSL 4123/4885CTSB 2293/4885CTSK 968/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 CTSL 2196/4885CTSB 605/4885CTSK 354/4885

“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