SCHEMBL2534416

SCHEMBL2534416

CN(C)C(=O)C1C[CH]CCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
GLI1 P08151 1/20 0.35
DPP4 P27487 1/20 0.33
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL2542554 0.94 BCHE (0.36) BCHEGLI1DPP4CTSBCTSS
SCHEMBL2537671 0.92 CES2 (0.37) BCHEGLI1DPP4CTSBCTSS
SCHEMBL2538040 0.90 GLI1 (0.34) BCHEGLI1DPP4
SCHEMBL2539115 0.88 BCHE (0.36) BCHEGLI1DPP4CTSBCTSS
SCHEMBL2531875 0.88 BCHE (0.38) BCHEGLI1DPP4CTSBCTSS
SCHEMBL2541163 0.82 BCHE (0.36) BCHEGLI1DPP4CTSBCTSS
SCHEMBL23827071 0.82
SCHEMBL2251299 0.79 GLI1 (0.35) BCHEGLI1DPP4
SCHEMBL2533313 0.78
SCHEMBL2736560 0.75 CES2 (0.46) BCHEGLI1DPP4CTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP disclosed
CN-1105362-A Methods for lowering serum cholesterol LILLY CO ELI (US) 1995-07-19 CN 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 BCHE 3723/4885GLI1 3108/4885DPP4 316/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 BCHE 760/4885GLI1 1354/4885DPP4 650/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 BCHE 447/4885GLI1 776/4885DPP4 614/4885

“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.