SCHEMBL22324865

SCHEMBL22324865

COc1cncc(C2CCN(c3cn[nH]c3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 10/20 0.45
▸ CHRNA4 P43681 10/20 0.45
▸ CHRNB4 P30926 8/20 0.44
▸ CHRNA3 P32297 8/20 0.44
▸ LCAT P04180 1/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ HRH4 Q9H3N8 1/20 0.36
▸ 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
SCHEMBL22340525 0.84 HTR2C (0.53) ROCK2
SCHEMBL22324868 0.83 DRD2 (0.49) HRH4HRH3
SCHEMBL22324859 0.82 ROCK2 (0.44) ROCK2
SCHEMBL22324882 0.79 LCAT (0.40) LCATROCK2HRH4HRH3
SCHEMBL22324818 0.78 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3LCAT
SCHEMBL22324940 0.76 TLR9 (0.41) ROCK2
SCHEMBL22325001 0.74 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3LCAT
SCHEMBL22324896 0.74 SLC18A3 (0.41) ROCK2
SCHEMBL22340466 0.74 DHFR (0.46) ROCK2
SCHEMBL4881754 0.73 HTR2C (0.59) CHRNB2CHRNA4CHRNB4CHRNA3

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 CHRNB2 1365/4885CHRNA4 727/4885CHRNB4 574/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 CHRNB2 1365/4885CHRNA4 727/4885CHRNB4 574/4885

“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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