SCHEMBL29580862

SCHEMBL29580862

COc1cncc(C2=CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.58
GRM1 Q13255 9/20 0.50
GRM5 P41594 9/20 0.50
NAMPT P43490 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
PDK4 Q16654 1/20 0.47
CDK7 P50613 1/20 0.44
CDK13 Q14004 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
QDPR P09417 1/20 0.43
JAK1 P23458 1/20 0.43
BTK Q06187 1/20 0.43
PDE4B Q07343 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL20753874 1.00 CYP11B2 (0.58) CYP11B2GRM1GRM5NAMPTTLR7
SCHEMBL23865569 0.88 QDPR (0.46) CYP11B2NAMPTQDPR
SCHEMBL13473291 0.87 CYP11B2 (0.61) CYP11B2GRM1GRM5NAMPTTLR7
SCHEMBL30032127 0.85 CYP11B2 (0.59) CYP11B2GRM1GRM5NAMPTTLR7
SCHEMBL2883881 0.85 CYP11B2 (0.59) CYP11B2GRM1GRM5NAMPTTLR7
SCHEMBL4163933 0.85 CYP11B2 (0.59) CYP11B2GRM1GRM5NAMPTTLR7
SCHEMBL16271570 0.85 CYP11B2 (0.61) CYP11B2GRM1GRM5NAMPTTLR7
SCHEMBL30191814 0.85 CYP11B2 (0.59) CYP11B2GRM1GRM5NAMPTTLR7
SCHEMBL30305366 0.85 CYP11B2 (0.61) CYP11B2GRM1GRM5NAMPTTLR7
SCHEMBL22324984 0.84 QDPR (0.47) CYP11B2NAMPTQDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
CN-115279765-B 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2024-11-12 CN disclosed
CN-115279765-A 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2022-11-01 CN 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 (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-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 CYP11B2 7/4885GRM1 2182/4885GRM5 1092/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 CYP11B2 7/4885GRM1 2182/4885GRM5 1092/4885

“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.