SCHEMBL4598026

SCHEMBL4598026

Cc1cccc([C@@H](N)CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
ACP3 P15309 1/20 0.43
ACHE P22303 2/20 0.42
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
PARP1 P09874 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TACR1 P25103 2/20 0.38
IDO1 P14902 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
CFD P00746 1/20 0.36
F11 P03951 1/20 0.36
TPSB2 P20231 1/20 0.36
CYP19A1 P11511 1/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36

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
SCHEMBL18765644 1.00 AOC3 (0.44) AOC3ACP3ACHEANPEPENPEP
SCHEMBL29398801 1.00 AOC3 (0.44) AOC3ACP3ACHEANPEPENPEP
SCHEMBL5396138 1.00 AOC3 (0.44) AOC3ACP3ACHEANPEPENPEP
SCHEMBL30559594 1.00 AOC3 (0.44) AOC3ACP3ACHEANPEPENPEP
Hydrochloric Acid SCHEMBL18766163 0.98 AOC3 (0.42) AOC3ACP3ACHEANPEPENPEP
Hydrochloric Acid SCHEMBL29676676 0.98 AOC3 (0.42) AOC3ACP3ACHEANPEPENPEP
Hydrochloric Acid SCHEMBL18766165 0.98 AOC3 (0.42) AOC3ACP3ACHEANPEPENPEP
SCHEMBL24527613 0.86 AOC3 (0.42) AOC3ACP3ACHEANPEPENPEP
SCHEMBL4172487 0.82 AOC3 (0.45) AOC3ACP3ACHEANPEPENPEP
SCHEMBL4277230 0.82 AOC3 (0.45) AOC3ACP3ACHETAAR1TACR1

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-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2022-05-26 US disclosed
CN-114057747-A Dual inhibitors and uses thereof 贝达药业股份有限公司 2022-02-18 CN disclosed
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 AOC3 4747/4885ACP3 3159/4885ACHE 4853/4885
US-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 IL17A, IL15, IL2 AOC3 2901/4885ACP3 1663/4885ACHE 4837/4885

“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.