SCHEMBL6166916

SCHEMBL6166916

CC(C)(C)OC(=O)N1CCC1C#N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.49
DPP4 P27487 7/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL16067363 1.00 CTSK (0.49) CTSKDPP4DPP8DPP9MEN1
SCHEMBL2896482 0.90 DPP4 (0.56) CTSKDPP4DPP8DPP9HSD17B10
SCHEMBL1357066 0.90 DPP4 (0.56) CTSKDPP4DPP8DPP9HSD17B10
SCHEMBL240005 0.90 DPP4 (0.56) CTSKDPP4DPP8DPP9HSD17B10
SCHEMBL82202 0.89 DPP4 (0.51) CTSKDPP4DPP8DPP9
SCHEMBL19055875 0.89 DPP4 (0.51) CTSKDPP4DPP8DPP9
SCHEMBL3966030 0.89 DPP4 (0.51) CTSKDPP4DPP8DPP9
SCHEMBL9554546 0.84 CTSK (0.42) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL5275535 0.83 HSD17B10 (0.47) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL4919669 0.83 HSD17B10 (0.47) CTSKMEN1ALDH1A1MAPTKMT2A

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-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 US disclosed
EP-2576507-B1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2017-04-05 EP disclosed
US-8835418-B2 Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application SANOFI (FR) 2014-09-16 US disclosed
US-20130165422-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2013-06-27 US disclosed
EP-1465891-A4 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARM INC (US) 2005-08-17 EP disclosed
US-20050070719-A1 Inhibitors of dipeptidyl peptidase iv GUILFORD PHARMACEUTICALS 2005-03-31 US disclosed
EP-1465891-A2 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS INC. (US) 2004-10-13 EP disclosed
WO-2003057666-A2 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV GUILFORD PHARMACEUTICALS (US) 2003-07-17 WO 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 CTSK 2694/4885DPP4 4811/4885DPP8 4393/4885
US-20050070719-A1 Inhibitors of dipeptidyl peptidase iv DPP4, DPP3, DPP7 CTSK 441/4885DPP4 1/4885DPP8 5/4885
US-20130165422-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION F7, MGMT, CA13 CTSK 884/4885DPP4 1229/4885DPP8 1096/4885

“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.