SCHEMBL22325010

SCHEMBL22325010

CC(C)(C)OC(=O)N1CC=C(c2ccc(CN3CCCC3=O)cc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.48
HTR6 P50406 1/20 0.45
GRM1 Q13255 8/20 0.44
GRM5 P41594 7/20 0.44
CDK9 P50750 2/20 0.43
CCNT1 O60563 1/20 0.43
CNR1 P21554 1/20 0.42
NAMPT P43490 1/20 0.42
JAK1 P23458 1/20 0.41
TP53 P04637 1/20 0.40
KIT P10721 1/20 0.40
WNT3A P56704 1/20 0.40
WDR5 P61964 1/20 0.40
TNF P01375 1/20 0.40

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
SCHEMBL29580725 1.00 PDK4 (0.48) PDK4HTR6GRM1GRM5CDK9
SCHEMBL22340502 0.85 NAMPT (0.53) PDK4HTR6GRM1GRM5CNR1
SCHEMBL22324853 0.85 L3MBTL1 (0.41) JAK1KIT
SCHEMBL22957488 0.83 PDK4 (0.52) PDK4HTR6GRM1GRM5CDK9
SCHEMBL22957463 0.82 PDK4 (0.51) PDK4HTR6GRM1GRM5CDK9
SCHEMBL29581506 0.82 PDK4 (0.51) PDK4HTR6GRM1GRM5CDK9
SCHEMBL22324927 0.82 PDK4 (0.51) PDK4HTR6GRM1GRM5CDK9
SCHEMBL22340513 0.81 TLR7 (0.53) PDK4GRM1GRM5CDK9CCNT1
SCHEMBL25377179 0.81 PDK4 (0.52) PDK4HTR6GRM1GRM5CDK9
SCHEMBL14537120 0.81 PDK4 (0.59) PDK4HTR6GRM1GRM5CNR1

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 5 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
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 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
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 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 (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 1189/4885HTR6 407/4885GRM1 2182/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 PDK4 1189/4885HTR6 407/4885GRM1 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.