SCHEMBL2940477

SCHEMBL2940477

O=C(O)N1CC(OCc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
CTSK P43235 1/20 0.57
NAAA Q02083 3/20 0.48
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
AGTR2 P50052 2/20 0.44
BCHE P06276 1/20 0.44
BDKRB2 P30411 1/20 0.43
PKLR P30613 1/20 0.43
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL18426023 0.87 GRIN2D (0.52) CTSLCTSBCTSKNAAAALDH1A1
SCHEMBL2525766 0.87 GRIN2D (0.52) CTSLCTSBCTSKNAAAALDH1A1
SCHEMBL2526379 0.87 GRIN2D (0.52) CTSLCTSBCTSKNAAAALDH1A1
SCHEMBL21811404 0.85 CTSL (0.43) CTSLCTSBCTSKNAAAALDH1A1
SCHEMBL25296129 0.85 CTSL (0.42) CTSLCTSBCTSKNAAAHRH3
SCHEMBL21618373 0.85 NAAA (0.54) CTSLCTSBCTSKNAAAALDH1A1
SCHEMBL13519043 0.85 CTSL (0.42) CTSLCTSBCTSKNAAAGRIN2B
SCHEMBL16422780 0.85 NAAA (0.54) CTSLCTSBCTSKNAAABCHE
SCHEMBL17274394 0.85 CARM1 (0.44) CTSLCTSBCTSKNAAAALDH1A1
SCHEMBL29117236 0.85 CTSL (0.49) CTSLCTSBCTSKNAAAALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US claimed
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
US-20200079777-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-12 US disclosed
EP-3464245-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS WITH TERTIARY AMIDE FUNCTION H. Hoffnabb-La Roche Ag (CH) 2019-04-10 EP disclosed
WO-2017202704-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS WITH TERTIARY AMIDE FUNCTION F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 WO disclosed
US-8426441-B2 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-04-23 US disclosed
EP-2229390-A1 NOVEL IMIDAZOÝ1,2-A¨PYRIDINE AND IMIDAZOÝ1,2-B¨PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP disclosed
US-20090186898-A1 Inhibitors of bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-07-23 US disclosed
WO-2009077334-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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 (3 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-20090186898-A1 Inhibitors of bruton's tyrosine kinase BTK, SYK, LYN CTSL 4396/4885CTSB 3280/4885CTSK 2184/4885
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.