SCHEMBL1025832

SCHEMBL1025832

Cc1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.62
NPC1 O15118 1/20 0.55
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
MMP12 P39900 1/20 0.50
PKM P14618 2/20 0.48
MAOB P27338 9/20 0.48
MAOA P21397 8/20 0.48
CRBN Q96SW2 1/20 0.48
EPHX2 P34913 1/20 0.47
HTR5A P47898 2/20 0.46
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL29754317 1.00 CA9 (0.62) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL30363370 0.89 MAPT (0.58) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL7428888 0.89 MAPT (0.58) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL15241838 0.89 MAPT (0.53) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL19186848 0.86 CA9 (0.56) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL6966954 0.86 HTR5A (0.53) CA9MMP12EPHX2HTR5AALDH1A1
SCHEMBL433753 0.85 PKM (0.58) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL29199433 0.85 PKM (0.58) CA9NPC1MAPK13MAPK12MAPK11
SCHEMBL278958 0.82 AHR (0.61) MMP12PKMCRBNEPHX2HTR5A
SCHEMBL14865941 0.82 CA9 (0.51) CA9NPC1MAPK13MAPK12MAPK11

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 325 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 US disclosed
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 US disclosed
WO-2023141323-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-07-27 WO disclosed
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-12-08 US disclosed
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed
US-20220298174-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-09-22 US disclosed
EP-4011886-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-06-15 EP disclosed
US-20060199810-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2006-09-07 US disclosed
WO-2006068904-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2006-06-29 WO disclosed
EP-1461318-B9 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-12-28 EP disclosed
US-20050209226-A1 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one ACADIA PHARMACEUTICALS INC. 2005-09-22 US disclosed
EP-1461318-B1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-09-14 EP disclosed
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists ACADIA PHARMACEUTICALS INC. 2003-09-18 US disclosed
EP-0409435-B1 Heteroaryl piperazine antipsychotic agents PFIZER (US) 1994-10-26 EP disclosed
US-5350747-A Heteroaryl piperazine antipsychotic agents PFIZER INC (US) 1994-09-27 US disclosed
WO-1991000863-A1 HETEROARYL PIPERAZINE ANTIPSYCHOTIC AGENTS PFIZER INC. (US) 1991-01-24 WO disclosed
EP-0409435-A1 Heteroaryl piperazine antipsychotic agents PFIZER INC. (US) 1991-01-23 EP 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 (8 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-20050209226-A1 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one CHRNA4, CHRNA2, CHRNA5 CA9 4748/4885NPC1 949/4885MAPK13 2369/4885
US-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 CA9 3697/4885NPC1 3252/4885MAPK13 48/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 CA9 3886/4885NPC1 1062/4885MAPK13 3959/4885
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 CA9 3697/4885NPC1 3252/4885MAPK13 48/4885
US-20220298174-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, HRAS CA9 889/4885NPC1 1312/4885MAPK13 22/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 CA9 3606/4885NPC1 1067/4885MAPK13 3852/4885
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF PTPRF, PTPRCAP, PTPRJ CA9 3459/4885NPC1 3404/4885MAPK13 344/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 CA9 231/4885NPC1 2907/4885MAPK13 1513/4885

“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.