SCHEMBL1554789

SCHEMBL1554789

CC(C)(C)OC(=O)N1CC=C(c2ccc(C=O)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.58
PDK4 Q16654 1/20 0.54
GRM1 Q13255 11/20 0.51
GRM5 P41594 11/20 0.51
CDK7 P50613 1/20 0.47
CDK13 Q14004 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
HTR6 P50406 1/20 0.47
CYP11B2 P19099 1/20 0.46
TNK2 Q07912 1/20 0.44
JAK1 P23458 1/20 0.44
BTK Q06187 1/20 0.44

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
SCHEMBL31490523 0.89 NAMPT (0.52) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL24892305 0.88 NAMPT (0.61) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL8912847 0.87 NAMPT (0.63) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL19989640 0.86 NAMPT (0.55) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL904049 0.85 NAMPT (0.61) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL2594283 0.84 GRM1 (0.65) NAMPTPDK4GRM1GRM5
SCHEMBL18619842 0.84 NAMPT (0.60) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL18619845 0.84 NAMPT (0.60) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL29227506 0.84 NAMPT (0.60) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL2908091 0.84 NAMPT (0.60) NAMPTPDK4GRM1GRM5CDK7

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 US disclosed
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 EP disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 WO disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 US disclosed
US-8889711-B2 Pyrazolopyridine derivatives as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-11-18 US disclosed
US-8889711-B2 Pyrazolopyridine derivatives as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-11-18 US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-09-27 US disclosed
EP-2488519-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT Pierre Fabre Médicament (FR) 2012-08-22 EP disclosed
WO-2011045344-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2011-04-21 WO disclosed
WO-2011045344-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2011-04-21 WO disclosed
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 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 (5 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN NAMPT 1237/4885PDK4 2300/4885GRM1 4402/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN NAMPT 1331/4885PDK4 2526/4885GRM1 4393/4885
US-20120245170-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT DPYD, TYMP, ABCB1 NAMPT 958/4885PDK4 19/4885GRM1 4215/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN NAMPT 1237/4885PDK4 2300/4885GRM1 4402/4885
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C NAMPT 176/4885PDK4 2572/4885GRM1 469/4885

“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.