SCHEMBL1630768

SCHEMBL1630768

O=C1NCCC12CC[N]CC2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 1/20 0.42
CCNC P24863 14/20 0.33
CDK8 P49336 14/20 0.33
IDO1 P14902 1/20 0.33
JAK1 P23458 3/20 0.32
TYK2 P29597 3/20 0.32

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
SCHEMBL479513 0.83
SCHEMBL769784 0.79 CRBN (0.32)
SCHEMBL1429855 0.78 OTUD7B (0.46) OTUD7BCCNCCDK8IDO1JAK1
SCHEMBL21584978 0.78
SCHEMBL324340 0.78 OTUD7B (0.46) OTUD7BCCNCCDK8IDO1JAK1
SCHEMBL3119994 0.78 OTUD7B (0.46) OTUD7BCCNCCDK8IDO1JAK1
Hydrochloric Acid SCHEMBL2637685 0.76 OTUD7B (0.44) OTUD7BCCNCCDK8IDO1JAK1
Hydrochloric Acid SCHEMBL30159811 0.76 OTUD7B (0.44) OTUD7BCCNCCDK8IDO1JAK1
Hydrochloric Acid SCHEMBL325043 0.76 OTUD7B (0.44) OTUD7BCCNCCDK8IDO1JAK1
SCHEMBL4829 0.76 OTUD7B (0.44) OTUD7BCCNCCDK8IDO1JAK1

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 133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034696-B2 Compounds for inhibiting LRRK2 kinase activity GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-06-15 US claimed
EP-3122739-B1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2019-01-16 EP claimed
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 US claimed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 US claimed
EP-3122739-A1 PYRIDYL PIPERIDINES Merck Patent GmbH (DE) 2017-02-01 EP claimed
WO-2015144290-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2015-10-01 WO claimed
EP-2448926-A1 FLAVIN DERIVATIVES Biorelix, Inc. (US) 2012-05-09 EP claimed
JP-4726238-B2 2011-07-20 JP claimed
WO-2008100564-A1 LTA4H MODULATORS AND USES THEROF JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 WO claimed
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP claimed
WO-2005012297-A9 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-01-04 WO claimed
US-20060247239-A1 Melanin concentrating hormone antagonists HU XIUFENG E 2006-11-02 US claimed
WO-2006105304-A2 PHENYL AND PYRIDYL LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO claimed
US-20060223792-A1 Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 US claimed
EP-1660492-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS Janssen Pharmaceutica N.V. (BE) 2006-05-31 EP claimed
EP-1660491-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-31 EP claimed
US-20050043379-A1 LTA4H Modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US claimed
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US claimed
WO-2005012297-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO claimed
WO-2005012296-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-11034696-B2 Compounds for inhibiting LRRK2 kinase activity LRRK2, BRSK2, MAPKAPK2 OTUD7B 3045/4885CCNC 3618/4885CDK8 1484/4885
US-20060247239-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R OTUD7B 1995/4885CCNC 3333/4885CDK8 3671/4885
US-20060223792-A1 Phenyl and pyridyl LTA4H modulators LTA4H, LTB4R, LTC4S OTUD7B 3667/4885CCNC 3687/4885CDK8 943/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R OTUD7B 1603/4885CCNC 3373/4885CDK8 2114/4885
US-20170107222-A1 PYRIDYL PIPERIDINES WNT1, CTNNB1, WNT3 OTUD7B 1846/4885CCNC 51/4885CDK8 275/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 OTUD7B 2580/4885CCNC 3855/4885CDK8 1290/4885

“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.