SCHEMBL22325401

SCHEMBL22325401

FC(F)(F)c1cncc(C2CCN(c3ccn[nH]3)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 2/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MAPK11 Q15759 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ HTR2C P28335 2/20 0.35

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
SCHEMBL22324818 0.78 CHRNB2 (0.43) LCATDRD2
SCHEMBL22325025 0.77 ADRB1 (0.42) LCATHRH3
SCHEMBL22324882 0.77 LCAT (0.40) LCATHDAC4DRD2CYP3A4HRH4
SCHEMBL22325008 0.73 ALDH1A1 (0.44) DRD2CYP3A4
SCHEMBL22324979 0.73 DHFR (0.43) DRD2
SCHEMBL22324907 0.72 ALDH1A1 (0.48) CYP3A4HTR2C
SCHEMBL13210515 0.71 HTR2C (0.62) HRH3HTR2C
SCHEMBL31484365 0.71 ADRA2A (0.44) LCATHDAC4DRD2HRH4CYP11B1
SCHEMBL27196809 0.71 ADRA2A (0.44) LCATHDAC4DRD2HRH4CYP11B1
SCHEMBL22340239 0.71 ALDH1A1 (0.44) DRD2MAPK11MAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1154/4885HDAC4 681/4885DRD2 2470/4885

“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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