SCHEMBL3698542

SCHEMBL3698542

CC(C)(C)NC(=O)OC1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.37
SLC6A11 P48066 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A13 Q9NSD5 1/20 0.37
EPHX1 P07099 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.36
DPP4 P27487 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SSTR4 P31391 1/20 0.34
MAPK1 P28482 1/20 0.33
OPRK1 P41145 1/20 0.33
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
ROCK1 Q13464 1/20 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
SCHEMBL17513413 1.00 SLC6A1 (0.37) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL740082 1.00 SLC6A1 (0.37) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL28493616 0.95 EPHX1 (0.39) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL1441784 0.90 CHRM3 (0.35) SMN1; SMN2DPP4L3MBTL1SSTR4CCNE1
SCHEMBL954528 0.90 CHRM3 (0.35) SMN1; SMN2DPP4L3MBTL1SSTR4CCNE1
SCHEMBL954529 0.90 CHRM3 (0.35) SMN1; SMN2DPP4L3MBTL1SSTR4CCNE1
Methane SCHEMBL27926432 0.89 CHRM3 (0.34) DPP4L3MBTL1SSTR4CCNE1CDK2
Hydrochloric Acid SCHEMBL28057619 0.89 DPP4 (0.35) DPP4L3MBTL1SSTR4CCNE1CDK2
SCHEMBL16505644 0.87 EPHX1 (0.40) SMN1; SMN2EPHX1DPP4L3MBTL1CCNE1
Bicarbonate SCHEMBL1532914 0.87 CHRM3 (0.36) SLC6A1SLC6A11LMNASLC6A13DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
CN-114478478-B N- (1- (6- (substituted phenyl) pyridazin-3-yl) piperidin-3-yl) amine/amide derivatives and process for preparing the same 厦门大学 2023-06-13 CN disclosed
CN-110950840-B Preparation method of trelagliptin succinate 江苏天和制药有限公司 2022-03-15 CN disclosed
CN-110950840-A Preparation method of trelagliptin succinate 江苏天和制药有限公司 2020-04-03 CN disclosed
WO-2015073267-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-05-21 WO disclosed
CN-103153063-A Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-06-12 CN disclosed
CN-102884062-A Aminopyrimidine kinase inhibitors JASCO PHARMACEUTICALS LLC 2013-01-16 CN disclosed
US-20100331546-A1 METHOD FOR OPTICAL RESOLUTION OF ALKYL PIPERIDIN-3-YL CARBAMATE AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-30 US disclosed
EP-2248803-A1 METHOD FOR OPTICAL RESOLUTION OF ALKYLPIPERIDIN-3-YL CARBAMATE AND INTERMEDIATE THEREFOR Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
CN-100376573-C Fused 1, 3-dihydro-imidazole ring compounds EISAI CO LTD (JP) 2008-03-26 CN disclosed
CN-1745080-A 1,3-dihydroimidazole fused-ring compound EISAI CO LTD (JP) 2006-03-08 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 (1 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-20100331546-A1 METHOD FOR OPTICAL RESOLUTION OF ALKYL PIPERIDIN-3-YL CARBAMATE AND INTERMEDIATE THEREFOR FAR1, NOTUM, CYP51A1 SLC6A1 571/4885SLC6A11 83/4885TSHR 514/4885

“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.