SCHEMBL3187231

SCHEMBL3187231

CC(C)(C)OC(=O)C(N)C1CCC(N)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.40
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALOX5 P09917 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL8487787 1.00 DPP4 (0.40) DPP4NOS1NOS3NOS2HRH3
SCHEMBL14978004 0.93 DPP4 (0.36) DPP4NOS1NOS3NOS2HRH3
SCHEMBL31564804 0.93 DPP4 (0.36) DPP4NOS1NOS3NOS2HRH3
SCHEMBL3644550 0.86 DPP4 (0.39) DPP4NOS1NOS3NOS2HRH3
SCHEMBL27570839 0.85 DPP4 (0.41) DPP4
SCHEMBL25201508 0.84 NOS1 (0.34) DPP4NOS1NOS3NOS2CHRM2
SCHEMBL15129485 0.84 DPP4 (0.44) DPP4
Hydrochloric Acid SCHEMBL6438617 0.84 DPP4 (0.40) DPP4
SCHEMBL25201507 0.84 NOS1 (0.34) DPP4NOS1NOS3NOS2CHRM2
SCHEMBL12374491 0.84 DPP4 (0.44) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113150001-A Compounds that inhibit IRAK4 and/or JAK1 kinase activity 北京韩美药品有限公司 2021-07-23 CN disclosed
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
US-7138397-B2 Nitrogenous 5-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2006-11-21 US disclosed
US-20060241146-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2006-10-26 US disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 US disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 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 (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-20060241146-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 DPP4 4229/4885NOS1 151/4885NOS3 130/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 DPP4 4009/4885NOS1 141/4885NOS3 82/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 DPP4 4248/4885NOS1 172/4885NOS3 114/4885

“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.