SCHEMBL2334154

SCHEMBL2334154

N#CC1CCC(OCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.57
CTSB P07858 2/20 0.57
CTSK P43235 2/20 0.57
NAAA Q02083 7/20 0.48
OPRM1 P35372 2/20 0.48
OPRL1 P41146 2/20 0.48
DPP4 P27487 1/20 0.48
SIGMAR1 Q99720 2/20 0.46
CARM1 Q86X55 2/20 0.46
PRMT6 Q96LA8 2/20 0.46
TMEM97 Q5BJF2 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.41
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 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
SCHEMBL6469380 0.85 OPRM1 (0.59) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL22397634 0.84 CTSL (0.58) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL23240990 0.83 CTSL (0.57) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL25304105 0.83 CTSL (0.49) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL30978132 0.80 CTSL (0.54) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL15797812 0.80 OPRM1 (0.54) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL3827609 0.80 OPRM1 (0.54) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL6108529 0.80 OPRM1 (0.54) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL18361624 0.78 OPRM1 (0.57) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL355570 0.77 OPRM1 (0.56) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9226923-B2 Spirocyclic molecules as protein kinase inhibitors NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-01-05 US disclosed
US-20140243303-A1 SPIROCYCLIC MOLECULES AS PROTEIN KINASE INHIBITORS BETA PHARMA CANADA INC. (CA) 2014-08-28 US disclosed
EP-2739617-A1 SPIROCYCLIC MOLECULES AS PROTEIN KINASE INHIBITORS Nanjing Allgen Pharma Co. Ltd. (CN) 2014-06-11 EP disclosed
US-8513424-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
WO-2013013308-A1 SPIROCYCLIC MOLECULES AS PROTEIN KINASE INHIBITORS BETA PHARMA CANADA INC. (CA) 2013-01-31 WO disclosed
US-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-10-11 US disclosed
US-8232404-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-31 US disclosed
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
EP-2170864-B1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP disclosed
US-8003796-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-23 US disclosed
EP-2170864-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-04-07 EP disclosed
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-22 US disclosed
WO-2009012275-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-22 WO disclosed
US-5175319-A Antiprotozoa agent, useful for treating malaria, theileriosis, coccidiosis and prophylaxix BURROUGHS WELLCOME CO. (US) 1992-12-29 US disclosed
US-5053432-A Antiprotozoa agents; treatment of malaria BURROUGHS WELLCOME CO. (US) 1991-10-01 US disclosed
EP-0123238-B1 NAPHTHOQUINONE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1987-06-10 EP disclosed
EP-0123238-A2 Naphthoquinone derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-10-31 EP 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 (4 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-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 CTSL 4397/4885CTSB 3797/4885CTSK 3606/4885
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 CTSL 4397/4885CTSB 3797/4885CTSK 3606/4885
US-20140243303-A1 SPIROCYCLIC MOLECULES AS PROTEIN KINASE INHIBITORS MET, RET, ALK CTSL 2523/4885CTSB 4158/4885CTSK 2505/4885
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 CTSL 4330/4885CTSB 3737/4885CTSK 3560/4885

“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.