SCHEMBL22324945

SCHEMBL22324945

COc1ccc(C2CCN(c3ccn[nH]3)CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.42
QDPR P09417 2/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LMNA P02545 1/20 0.37
USP30 Q70CQ3 1/20 0.36
CHEK1 O14757 1/20 0.36
ROCK2 O75116 3/20 0.36
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
PDE9A O76083 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4B Q07343 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
SCHEMBL22325031 0.91 QDPR (0.42) KDM1AQDPRLMNACHEK1ROCK2
SCHEMBL22324783 0.86 TP53 (0.42) QDPRLMNACHEK1TP53
SCHEMBL22324910 0.80 DRD2 (0.49) ALDH1A1
SCHEMBL22324988 0.79 TLR9 (0.42) PROKR1TLR9TLR8TLR7
SCHEMBL22324870 0.79 ROCK2 (0.46) KDM1AQDPRROCK2
SCHEMBL22325011 0.79 HTR1A (0.37) ROCK2ALDH1A1
SCHEMBL22324878 0.78 HTR2C (0.53) ROCK2PROKR1
SCHEMBL22325008 0.78 ALDH1A1 (0.44) ALDH1A1
SCHEMBL23605276 0.76 QDPR (0.64) KDM1AQDPRSLC6A2SLC6A4SLC6A3
SCHEMBL21101398 0.76 KDM1A (0.62) KDM1AQDPRSLC6A2SLC6A4SLC6A3

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 KDM1A 3640/4885QDPR 273/4885SLC6A2 1927/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 KDM1A 3640/4885QDPR 273/4885SLC6A2 1927/4885

“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.