SCHEMBL22324851

SCHEMBL22324851

COc1ccc(C2CCN(c3cn[nH]c3)CC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 11/20 0.43
▸ GRM2 Q14416 3/20 0.40
▸ OXTR P30559 1/20 0.39
▸ NSD2 O96028 1/20 0.38
▸ NSD1 Q96L73 1/20 0.38
▸ NSD3 Q9BZ95 1/20 0.38
▸ LPAR5 Q9H1C0 1/20 0.38
▸ HPSE Q9Y251 1/20 0.38

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
SCHEMBL22324913 0.86 ROCK2 (0.46) ROCK2
SCHEMBL22340525 0.81 HTR2C (0.53) ROCK2GRM2
SCHEMBL22324868 0.80 DRD2 (0.49) GRM2
SCHEMBL22340280 0.79 GRM2 (0.38) GRM2OXTRNSD2NSD1NSD3
SCHEMBL22324877 0.77 SMN1; SMN2 (0.41) GRM2OXTRNSD2NSD1NSD3
SCHEMBL22324908 0.76 ROCK2 (0.40) ROCK2
SCHEMBL22324965 0.75 MAPT (0.53) —
SCHEMBL22324865 0.74 CHRNB2 (0.45) ROCK2
SCHEMBL22324821 0.73 HTR3E (0.57) —
SCHEMBL22324792 0.72 HTR2C (0.58) —

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 580/4885GRM2 1795/4885OXTR 3429/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 ROCK2 580/4885GRM2 1795/4885OXTR 3429/4885

“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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