SCHEMBL2282033

SCHEMBL2282033

CCCn1cnc(C(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 8/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
CPB1 P15086 4/20 0.43
SMYD3 Q9H7B4 1/20 0.39
GRM2 Q14416 1/20 0.39
ADAMTS5 Q9UNA0 2/20 0.38
MAPK1 P28482 1/20 0.38
KCNH2 Q12809 1/20 0.36
PLA2G4A P47712 1/20 0.36

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
SCHEMBL26813651 0.90 CPB2 (0.45) CPB2MEN1KMT2AKDM5AKDM5B
SCHEMBL5726708 0.89 CPB2 (0.45) CPB2MEN1KMT2ACPB1SMYD3
SCHEMBL7425205 0.86 SMYD3 (0.50) CPB2MEN1KMT2ASMYD3GRM2
SCHEMBL15775548 0.85 MEN1 (0.43) CPB2MEN1KMT2ACPB1SMYD3
SCHEMBL28934829 0.85 NOTUM (0.49) CPB2MEN1KMT2AKDM5AKDM5B
SCHEMBL21361934 0.85 MEN1 (0.43) CPB2MEN1KMT2ASMYD3GRM2
SCHEMBL20139133 0.84 MEN1 (0.42) CPB2MEN1KMT2ASMYD3GRM2
SCHEMBL26813648 0.84 CPB2 (0.42) CPB2MEN1KMT2ACPB1SMYD3
SCHEMBL28579686 0.83 MEN1 (0.41) CPB2MEN1KMT2ACPB1SMYD3
SCHEMBL26641301 0.83 KDM5A (0.47) MEN1KMT2AKDM5AKDM5BSMYD3

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
US-10322143-B2 Inhibitors of ADAMTS4 or ADAMTS5 for use in preventing or treating cardiac remodeling and chronic heart failure UNIVERSITETET I OSLO (NO) 2019-06-18 US disclosed
EP-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 EP disclosed
EP-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 EP disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
EP-1898903-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2008-03-19 EP disclosed
WO-2006135627-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-12-21 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 (2 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-10322143-B2 Inhibitors of ADAMTS4 or ADAMTS5 for use in preventing or treating cardiac remodeling and chronic heart failure ADAMTS5, ADAMTS4, ADAMTS1 CPB2 465/4885MEN1 3006/4885KMT2A 2260/4885
US-20100222321-A1 Inhibitors of akt activtiy PIK3CA, PIK3CD, INPP5D CPB2 2627/4885MEN1 1060/4885KMT2A 1008/4885

“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.