SCHEMBL11628002

SCHEMBL11628002

CCc1cnccc1NC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 3/20 0.53
AOC3 Q16853 3/20 0.53
KDM4C Q9H3R0 2/20 0.47
PTGS1 P23219 3/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
PTGS2 P35354 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP2E1 P05181 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL23889288 0.83 AOC1 (0.69) AOC1AOC3KDM4CPTGS1PTGS2
SCHEMBL21782174 0.82 AOC1 (0.56) AOC1AOC3KDM4CPTGS1SLC6A2
SCHEMBL9247761 0.79 AOC1 (0.58) AOC1AOC3KDM4CCA12CA1
SCHEMBL23792402 0.79 AOC1 (0.57) AOC1AOC3KDM4CPTGS1PTGS2
SCHEMBL20732520 0.77 TSHR (0.44) KDM4CPTGS1KDM6B
SCHEMBL4754435 0.75 AOC1 (0.57) AOC1AOC3KDM4CPTGS1PTGS2
SCHEMBL877689 0.75 CYP2E1 (0.48) AOC1AOC3SLC6A2SLC6A4CYP2E1
SCHEMBL30448578 0.75 AOC1 (0.57) AOC1AOC3KDM4CPTGS1PTGS2
SCHEMBL12836473 0.73 SLC6A2 (0.54) AOC1AOC3SLC6A2SLC6A4CYP2E1
SCHEMBL16547439 0.73 SLC6A2 (0.54) AOC1AOC3SLC6A2SLC6A4CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874674-A GLP-1R modulating compounds 吉利德科学公司 2025-04-25 CN disclosed
CN-114630823-B GLP-1R Modulating Compounds 吉利德科学公司 2025-01-28 CN disclosed
WO-2023141511-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-07-27 WO disclosed
CN-114630823-A GLP-1R modulating compounds 吉利德科学公司 2022-06-14 CN disclosed
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-06-09 US disclosed
EP-3746446-B1 PRC2 INHIBITORS MIRATI THERAPEUTICS INC (US) 2022-05-11 EP disclosed
US-4067741-A Hardening photographic layers containing silver halide with a 1-sulphonyl-4-amino-pyridinium salt AGFA-GEVAERT, A.G. (DT) 1978-01-10 US 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 (1 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-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 AOC1 4728/4885AOC3 4834/4885KDM4C 3330/4885

“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.