SCHEMBL1764170

SCHEMBL1764170

Cc1cccc2c1CCC(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
CREBBP Q92793 2/20 0.46
BRD4 O60885 1/20 0.45
HTR5A P47898 1/20 0.45
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43
MAPT P10636 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL29754448 1.00 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8523665 0.91 MAPT (0.55) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL20777511 0.86 HTR5A (0.52) CREBBPBRD4HTR5APARP1PARP10
SCHEMBL29622074 0.82 CCNB2 (0.54) CREBBPBRD4HTR5AMAPTCCNB2
SCHEMBL152281 0.82 CCNB2 (0.54) CREBBPBRD4HTR5AMAPTCCNB2
SCHEMBL3593984 0.78 NPC1 (0.52) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9911041 0.78 HTR1A (0.49) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL98299 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL18885726 0.77 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3723532 0.77 SRD5A1 (0.57) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-12-05 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 WO disclosed
WO-2022109179-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed
CN-114436955-A Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof 复旦大学 2022-05-06 CN disclosed
WO-2021188907-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby INSTITUTE FOR BASIC SCIENCE (KR) 2021-06-29 US disclosed
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-22 US disclosed
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
EP-1751116-A2 PYRIMIDINE COMPOUNDS AND USE THEREOF Abbott GmbH & Co. KG (DE) 2007-02-14 EP disclosed
US-20060199810-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2006-09-07 US disclosed
US-20060199813-A1 Tetrahydroquinoline analogues as 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
WO-2005118558-A2 PYRIMIDINE COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2005-12-15 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20060199813-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 NPC1 1062/4885MAPK13 3959/4885MAPK12 3198/4885
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors BCL2, BCL2A1, BCL2L1 NPC1 1132/4885MAPK13 2021/4885MAPK12 1909/4885
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 NPC1 949/4885MAPK13 2369/4885MAPK12 1220/4885
US-20070093515-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE12, PDE10A NPC1 3138/4885MAPK13 2633/4885MAPK12 2677/4885
US-20030176418-A1 Tetrahydroquinoline analogues as muscarinic agonists CHRM3, CHRM5, CHRM2 NPC1 1062/4885MAPK13 3959/4885MAPK12 3198/4885
US-20060199810-A1 Muscarinic agonists CHRM3, CHRM5, CHRM2 NPC1 1067/4885MAPK13 3852/4885MAPK12 3209/4885
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C NPC1 1433/4885MAPK13 2544/4885MAPK12 1300/4885
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby SQLE, COASY, DHPS NPC1 3709/4885MAPK13 4250/4885MAPK12 3592/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NPC1 3306/4885MAPK13 505/4885MAPK12 573/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS NPC1 3197/4885MAPK13 304/4885MAPK12 1110/4885

“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.