SCHEMBL22324825

SCHEMBL22324825

COc1ccc(C2CCN(c3ccn[nH]3)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.39
▸ PRKG1 Q13976 1/20 0.39
▸ LCAT P04180 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ ATRIP Q8WXE1 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CPS1 P31327 3/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ RBP4 P02753 1/20 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
SCHEMBL22340280 0.86 GRM2 (0.38) MEN1KMT2ANPC1RAB9ANOTUM
SCHEMBL22324878 0.81 HTR2C (0.53) ROCK2PRKG1GRM2
SCHEMBL22324910 0.80 DRD2 (0.49) NPC1RAB9AALDH1A1MAPTATM
SCHEMBL22324913 0.79 ROCK2 (0.46) ROCK2PRKG1
SCHEMBL22325011 0.79 HTR1A (0.37) ROCK2ALDH1A1ATM
SCHEMBL22324998 0.78 GRM2 (0.44) NPC1RAB9AALDH1A1GRM2RBP4
SCHEMBL22324945 0.76 KDM1A (0.42) ROCK2ALDH1A1
SCHEMBL22325031 0.76 QDPR (0.42) ROCK2ALDH1A1
SCHEMBL22324892 0.75 HTR2C (0.51) MEN1KMT2AMAPT
SCHEMBL22324818 0.75 CHRNB2 (0.43) ROCK2PRKG1LCATATRATRIP

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 ROCK2 580/4885PRKG1 742/4885LCAT 1154/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 ROCK2 580/4885PRKG1 742/4885LCAT 1154/4885

“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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