SCHEMBL22324940

SCHEMBL22324940

COc1cc(C2CCN(c3cn[nH]c3)CC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 15/20 0.41
▸ TLR7 Q9NYK1 15/20 0.41
▸ TLR8 Q9NR97 10/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ CYP17A1 P05093 1/20 0.39
▸ ACVR1 Q04771 1/20 0.38
▸ PROKR1 Q8TCW9 1/20 0.38

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
SCHEMBL22325001 0.84 CHRNB2 (0.45) TLR9
SCHEMBL22324835 0.82 LOX (0.42) ROCK2CYP17A1ACVR1
SCHEMBL22340525 0.80 HTR2C (0.53) ROCK2
SCHEMBL22324795 0.80 TRPV6 (0.50) ROCK2
SCHEMBL22324868 0.79 DRD2 (0.49) —
SCHEMBL22324896 0.79 SLC18A3 (0.41) ROCK2ACVR1
SCHEMBL22324988 0.79 TLR9 (0.42) TLR9TLR7TLR8PROKR1
SCHEMBL22324908 0.78 ROCK2 (0.40) ROCK2ACVR1
SCHEMBL22324870 0.78 ROCK2 (0.46) ROCK2
SCHEMBL12093555 0.76 LOX (0.47) TLR9TLR7TLR8CYP17A1PROKR1

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 TLR9 4624/4885TLR7 4817/4885TLR8 4608/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 TLR9 4624/4885TLR7 4817/4885TLR8 4608/4885

“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.

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