SCHEMBL22324882

SCHEMBL22324882

FC(F)(F)c1cncc(C2CCN(c3cn[nH]c3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ CYP3A4 P08684 5/20 0.38
▸ HDAC4 P56524 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ RPS6KB1 P23443 2/20 0.33
▸ ROCK2 O75116 1/20 0.33

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
SCHEMBL22324865 0.79 CHRNB2 (0.45) LCATHRH3HRH4ROCK2
SCHEMBL22325401 0.77 LCAT (0.37) LCATHRH3HRH4CYP3A4HDAC4
SCHEMBL22324842 0.76 MAP3K12 (0.41) LCATHRH3CYP3A4
SCHEMBL22324937 0.73 FAAH (0.42) HRH3DRD2ROCK2
SCHEMBL22340466 0.73 DHFR (0.46) DRD2ROCK2
SCHEMBL13210515 0.72 HTR2C (0.62) HRH3
SCHEMBL31484365 0.72 ADRA2A (0.44) LCATHRH4HDAC4DRD2
SCHEMBL27196809 0.72 ADRA2A (0.44) LCATHRH4HDAC4DRD2
SCHEMBL22324803 0.72 ROCK2 (0.49) CYP3A4ROCK2
SCHEMBL21381864 0.71 HDAC4 (0.47) HDAC4

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 LCAT 1154/4885HRH3 2749/4885HRH4 1041/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 LCAT 1154/4885HRH3 2749/4885HRH4 1041/4885

“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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