SCHEMBL29580432

SCHEMBL29580432

COc1ccccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.67
GRM5 P41594 10/20 0.63
GRM1 Q13255 10/20 0.63
HTR6 P50406 1/20 0.55
NAMPT P43490 1/20 0.53
CNR1 P21554 1/20 0.48
JAK1 P23458 1/20 0.47
PDE10A Q9Y233 1/20 0.47
BTK Q06187 1/20 0.47

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
SCHEMBL4859866 1.00 PDK4 (0.67) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL19818315 0.89 PDK4 (0.65) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL29691225 0.88 PDK4 (0.64) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL13993115 0.88 PDK4 (0.64) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL25044030 0.88 PDK4 (0.54) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL19297155 0.87 PDK4 (0.60) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL24186499 0.87 PDK4 (0.60) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL23228626 0.86 PDK4 (0.65) PDK4GRM5GRM1HTR6NAMPT
SCHEMBL4538783 0.86 CDK9 (0.55) PDK4GRM5GRM1
SCHEMBL4013425 0.85 PDE10A (0.62) PDK4GRM5GRM1HTR6NAMPT

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-119698412-A 5-HT2A receptor agonist, and preparation method and application thereof 上海翊石医药科技有限公司 2025-03-25 CN disclosed
WO-2025021120-A1 5-HT2A RECEPTOR AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2025-01-30 WO 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 PDK4 1189/4885GRM5 1092/4885GRM1 2182/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 PDK4 1189/4885GRM5 1092/4885GRM1 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.