SCHEMBL3034673

SCHEMBL3034673

CC(=O)c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.59
PDK4 Q16654 1/20 0.55
GRM1 Q13255 11/20 0.52
GRM5 P41594 11/20 0.52
GPR119 Q8TDV5 1/20 0.51
CDK7 P50613 1/20 0.48
CDK13 Q14004 1/20 0.48
CDK12 Q9NYV4 1/20 0.48
HTR6 P50406 1/20 0.47
QDPR P09417 1/20 0.47
CYP11B2 P19099 1/20 0.46
SCN9A Q15858 1/20 0.46

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
SCHEMBL5548551 0.90 NAMPT (0.59) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL31110456 0.88 NAMPT (0.58) NAMPTPDK4GRM1GRM5GPR119
SCHEMBL8912847 0.88 NAMPT (0.63) NAMPTPDK4GRM1GRM5GPR119
SCHEMBL18121785 0.87 NAMPT (0.57) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL2951348 0.87 NAMPT (0.60) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL29924834 0.87 PDK4 (0.55) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL904049 0.86 NAMPT (0.61) NAMPTPDK4GRM1GRM5GPR119
SCHEMBL18253161 0.86 NAMPT (0.62) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL31700404 0.86 NAMPT (0.56) NAMPTPDK4GRM1GRM5GPR119
SCHEMBL22324867 0.86 MEN1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507512-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-08-13 US disclosed
US-20100216764-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2010-08-26 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 (1 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-20100216764-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A1, GUCY1A2 NAMPT 4227/4885PDK4 2382/4885GRM1 1758/4885

“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.