SCHEMBL22324883

SCHEMBL22324883

O=C1CCCN1Cc1ccc(C2CCN(c3cn[nH]c3)CC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
BDKRB1 P46663 1/20 0.40
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
TLR7 Q9NYK1 6/20 0.35
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL22324917 0.89 EPHX2 (0.36) GRIA2CYP1A2CYP2C9SLC6A2SLC6A4
SCHEMBL22324765 0.84 L3MBTL1 (0.42) GRIA2CYP1A2CYP2C9
SCHEMBL22324774 0.82 CYP1A2 (0.42) GRIA2CYP1A2CYP2C9BDKRB1SLC6A2
SCHEMBL22324961 0.82 GRIA2 (0.42) GRIA2CYP1A2CYP2C9BDKRB1SLC6A2
SCHEMBL22324830 0.81 GRIA2 (0.38) GRIA2CYP1A2CYP2C9
SCHEMBL22324880 0.79 CYP1A2 (0.46) GRIA2CYP1A2CYP2C9BDKRB1SLC6A2
SCHEMBL22324890 0.75 SMN1; SMN2 (0.48) MAPK1
Hydrochloric Acid SCHEMBL22325037 0.74 SMN1; SMN2 (0.47) MAPK1
SCHEMBL22324870 0.73 ROCK2 (0.46) DPP4DPP8DPP9DPP7
SCHEMBL22324937 0.71 FAAH (0.42)

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 GRIA2 1400/4885CYP1A2 41/4885CYP2C9 84/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 GRIA2 1400/4885CYP1A2 41/4885CYP2C9 84/4885

“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.