SCHEMBL23232245

SCHEMBL23232245

COc1cc([C@@H](C)N)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
AAK1 Q2M2I8 6/20 0.39
CYP3A4 P08684 1/20 0.39
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
KCNB1 Q14721 1/20 0.37
ROCK2 O75116 1/20 0.36
PFKFB3 Q16875 1/20 0.36
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
LRRK2 Q5S007 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACVR2A P27037 1/20 0.35
TGFBR2 P37173 1/20 0.35
ACACB O00763 1/20 0.35
MTOR P42345 1/20 0.34
DYRK1A Q13627 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
SCHEMBL23232590 1.00 LOX (0.50) LOXLOXL2AAK1CYP3A4NOS3
SCHEMBL22369466 1.00 LOX (0.50) LOXLOXL2AAK1CYP3A4NOS3
SCHEMBL23232246 0.86 LOX (0.52) LOXLOXL2AAK1CYP3A4NOS3
SCHEMBL31421700 0.84 LOX (0.48) LOXLOXL2AAK1NOS3NOS1
SCHEMBL84460 0.84 LOX (0.48) LOXLOXL2AAK1NOS3NOS1
SCHEMBL12093566 0.82 LOX (0.47) LOXLOXL2AAK1CYP3A4NOS3
SCHEMBL412390 0.82 KDM4E (0.46) LOXLOXL2MTOR
SCHEMBL14480078 0.81 ACACB (0.42) LOXLOXL2KCNB1ACACB
SCHEMBL23343752 0.81 LOX (0.46) LOXLOXL2AAK1CYP3A4NOS3
SCHEMBL18626319 0.81 LOX (0.46) LOXLOXL2AAK1CYP3A4NOS3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338262-B2 Modulators of TNF-alpha activity FORWARD THERAPEUTICS, INC. (US) 2025-06-24 US disclosed
US-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-08-22 US disclosed
US-11987597-B2 Modulators of TNF-α activity FORWARD THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
US-20240076306-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-03-07 US disclosed
WO-2023240253-A2 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2021071843-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS Pipeline Therapeutics, Inc. (US) 2021-04-15 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 (4 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-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, TNFRSF1A, NFKBIA LOX 1724/4885LOXL2 2536/4885AAK1 1622/4885
US-11987597-B2 Modulators of TNF-α activity TNF, TNFRSF1A, NFKBIA LOX 1325/4885LOXL2 2171/4885AAK1 1336/4885
US-20240076306-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, TNFRSF1A, NFKBIA LOX 1724/4885LOXL2 2536/4885AAK1 1622/4885
US-12338262-B2 Modulators of TNF-alpha activity TNF, TNFRSF1A, NFKBIA LOX 1724/4885LOXL2 2536/4885AAK1 1622/4885

“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.