SCHEMBL22325025

SCHEMBL22325025

FC(F)(F)c1ccnc(C2CCN(c3ccn[nH]3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.42
▸ LCAT P04180 2/20 0.40
▸ DGAT1 O75907 1/20 0.39
▸ MAP3K12 Q12852 13/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL22324842 0.78 MAP3K12 (0.41) ADRB1LCATDGAT1MAP3K12MAPK1
SCHEMBL2338512 0.78 NOS3 (0.50) ADRB1MAP3K12MAPK1
SCHEMBL21037498 0.77 MAP3K12 (0.55) ADRB1MAP3K12MAPK1
SCHEMBL22325401 0.77 LCAT (0.37) LCATHRH3
SCHEMBL28284245 0.75 NOS3 (0.47) ADRB1MAP3K12MAPK1
SCHEMBL7074219 0.74 MAPK1 (0.58) ADRB1MAP3K12MAPK1
SCHEMBL21037497 0.74 HRH3 (0.48) ADRB1MAP3K12HRH3
SCHEMBL28282678 0.73 NOS3 (0.46) ADRB1MAP3K12MAPK1
Hydrochloric Acid SCHEMBL31061313 0.73 MAPK1 (0.57) ADRB1MAP3K12MAPK1
SCHEMBL22324822 0.71 MAP4K4 (0.36) —

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 ADRB1 2411/4885LCAT 1154/4885DGAT1 1023/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 ADRB1 2411/4885LCAT 1154/4885DGAT1 1023/4885

“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.

Send feedback