SCHEMBL29580437

SCHEMBL29580437

COc1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
GPR119 Q8TDV5 1/20 0.53
GRM1 Q13255 10/20 0.52
GRM5 P41594 10/20 0.52
CYP11B2 P19099 1/20 0.51
PDK4 Q16654 1/20 0.49
MMP13 P45452 1/20 0.47
ATR Q13535 1/20 0.47
BTK Q06187 1/20 0.47
PIK3CD O00329 1/20 0.47
CDK7 P50613 1/20 0.46
CDK13 Q14004 1/20 0.46
CDK12 Q9NYV4 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
SCHEMBL22324763 1.00 NAMPT (0.53) NAMPTGPR119GRM1GRM5CYP11B2
SCHEMBL15053573 0.89 GPR119 (0.55) NAMPTGPR119GRM1GRM5CYP11B2
SCHEMBL23306173 0.88 NAMPT (0.55) NAMPTGRM1GRM5CYP11B2PDK4
SCHEMBL29840400 0.88 NAMPT (0.55) NAMPTGRM1GRM5CYP11B2PDK4
SCHEMBL29840385 0.88 NAMPT (0.55) NAMPTGRM1GRM5CYP11B2PDK4
SCHEMBL30487298 0.87 NAMPT (0.50) NAMPTGRM1GRM5CYP11B2PDK4
SCHEMBL29071631 0.87 NAMPT (0.50) NAMPTGRM1GRM5CYP11B2PDK4
SCHEMBL29891644 0.86 NAMPT (0.55) NAMPTGRM1GRM5CYP11B2PDK4
SCHEMBL15095872 0.86 NAMPT (0.55) NAMPTGRM1GRM5CYP11B2PDK4
SCHEMBL31131421 0.85 NAMPT (0.54) NAMPTGRM1GRM5CYP11B2PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12478621-B2 Substituted aminoquinolones as dgkalpha inhibitors for immune activation DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2025-11-25 US disclosed
US-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 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-12478621-B2 Substituted aminoquinolones as dgkalpha inhibitors for immune activation DGKK, DGKG, DGKA NAMPT 3459/4885GPR119 315/4885GRM1 2125/4885
US-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 NAMPT 1444/4885GPR119 1008/4885GRM1 2182/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 NAMPT 1444/4885GPR119 1008/4885GRM1 2182/4885

“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.