SCHEMBL22324835

SCHEMBL22324835

COc1cc(CC2CCN(c3cn[nH]c3)CC2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ ACVR1 Q04771 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ CHRNB2 P17787 3/20 0.37
▸ CHRNA4 P43681 3/20 0.37
▸ CHRNB4 P30926 2/20 0.37
▸ CHRNA3 P32297 2/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35
▸ APH1B Q8WW43 2/20 0.35
▸ NCSTN Q92542 2/20 0.35
▸ APH1A Q96BI3 2/20 0.35
▸ PSENEN Q9NZ42 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
SCHEMBL22324940 0.82 TLR9 (0.41) ACVR1ROCK2CYP17A1
SCHEMBL22324963 0.81 LOX (0.42) LOXLOXL2HRH3HRH4ENPP2
SCHEMBL22324866 0.81 HRH4 (0.55) HRH3HRH4SMN1; SMN2
SCHEMBL22324804 0.80 LMNA (0.44) HRH3HRH4LMNAMAPT
SCHEMBL22324909 0.80 HTR1A (0.56) HRH3HRH4ROCK2
SCHEMBL22324767 0.80 MAPT (0.42) HRH3ROCK2LMNAMAPT
SCHEMBL22324836 0.77 SMN1; SMN2 (0.50) HRH3ROCK2LMNAMAPTSMN1; SMN2
SCHEMBL12093718 0.77 LOX (0.56) LOXLOXL2ACACB
SCHEMBL22324911 0.76 LOX (0.51) LOXLOXL2
SCHEMBL21369543 0.76 LOX (0.46) LOXLOXL2

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 LOX 383/4885LOXL2 917/4885HRH3 2749/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 LOX 383/4885LOXL2 917/4885HRH3 2749/4885

“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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