SCHEMBL1704668

SCHEMBL1704668

Cc1n[nH]c2c1CN(C(=O)O)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.42
CDK2 P24941 10/20 0.42
CCNA1 P78396 10/20 0.42
AURKA O14965 8/20 0.42
CREBBP Q92793 4/20 0.35
EP300 Q09472 3/20 0.35
BRD4 O60885 2/20 0.35
MAPK1 P28482 1/20 0.33
HCAR2 Q8TDS4 2/20 0.33
KMT2A Q03164 1/20 0.33
AURKB Q96GD4 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
SCHEMBL16123821 0.86 CCNA2 (0.53) CCNA2CDK2CCNA1AURKACREBBP
SCHEMBL17234814 0.84 CCNA2 (0.47) CCNA2CDK2CCNA1AURKACREBBP
SCHEMBL16123822 0.81 AURKA (0.47) CCNA2CDK2CCNA1AURKACREBBP
SCHEMBL17232797 0.81 AURKA (0.39) CCNA2CDK2CCNA1AURKACREBBP
SCHEMBL16127155 0.81 RBP4 (0.41) CCNA2CDK2CCNA1AURKACREBBP
SCHEMBL17518296 0.81 CCNA2 (0.39) CCNA2CDK2CCNA1AURKACREBBP
SCHEMBL17232720 0.80 RBP4 (0.41) CCNA2CDK2CCNA1AURKACREBBP
SCHEMBL17232769 0.80 CCNA2 (0.53) CCNA2CDK2CCNA1AURKACREBBP
SCHEMBL17232682 0.79 CGAS (0.39) CCNA2CDK2CCNA1AURKACREBBP
SCHEMBL17232718 0.79 RBP4 (0.42) CCNA2CDK2CCNA1AURKACREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1978804-B1 AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2014-07-30 EP disclosed
US-8653059-B2 Heterocyclic compounds as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
EP-2001883-B1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2012-04-18 EP disclosed
US-20110224195-A1 HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-7750034-B2 Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-7678905-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-03-16 US disclosed
US-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. (US) 2009-10-29 US disclosed
EP-2001883-A2 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2008-12-17 EP disclosed
WO-2007126745-A2 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2007-11-08 WO disclosed
US-20070232676-A1 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2007-10-04 US 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-20070232676-A1 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 CCNA2 3407/4885CDK2 1617/4885CCNA1 4110/4885
US-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 CCNA2 1760/4885CDK2 736/4885CCNA1 2588/4885
US-20110224195-A1 HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 CCNA2 3018/4885CDK2 1288/4885CCNA1 3853/4885

“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.