SCHEMBL13261659

SCHEMBL13261659

CC(C)(C)OC(=O)N1CC=C(c2cccc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.56
NAMPT P43490 1/20 0.55
CNR1 P21554 1/20 0.52
GRM1 Q13255 10/20 0.51
GRM5 P41594 9/20 0.51
HTR6 P50406 1/20 0.47
SOS1 Q07889 1/20 0.46
STS P08842 1/20 0.46
CYP11B2 P19099 1/20 0.46
CDK7 P50613 1/20 0.45
CDK13 Q14004 1/20 0.45
CDK12 Q9NYV4 1/20 0.45

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
SCHEMBL13275195 0.90 GRM1 (0.49) PDK4NAMPTCNR1GRM1GRM5
SCHEMBL7831576 0.88 PDK4 (0.58) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL28675404 0.88 PDK4 (0.55) PDK4NAMPTCNR1GRM1GRM5
SCHEMBL29914645 0.87 PDK4 (0.57) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL1364792 0.87 PDK4 (0.57) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL2811392 0.87 PDK4 (0.60) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL652961 0.86 NAMPT (0.60) PDK4NAMPTCNR1GRM1GRM5
SCHEMBL2239831 0.86 NAMPT (0.66) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL3988457 0.86 PDK4 (0.56) PDK4NAMPTGRM1GRM5HTR6
SCHEMBL902871 0.86 PDK4 (0.56) PDK4NAMPTCNR1GRM1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 US disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 US disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 US disclosed
WO-2010094126-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 PDK4 1141/4885NAMPT 1047/4885CNR1 2805/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 PDK4 1141/4885NAMPT 1047/4885CNR1 2805/4885
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, COASY PDK4 487/4885NAMPT 532/4885CNR1 355/4885

“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.