SCHEMBL98343

SCHEMBL98343

COc1cccc2c1NC(=O)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.50
NPC1 O15118 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
PKM P14618 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SRD5A1 P18405 2/20 0.39
GSK3B P49841 1/20 0.39
CREBBP Q92793 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL5289616 0.85 HTR5A (0.39) HTR5ANPC1MAPK13MAPK12MAPK11
SCHEMBL1317350 0.84 AHR (0.56) HTR5AGSK3BCREBBPKMT2AHTR1A
SCHEMBL18513671 0.83 NPC1 (0.40) HTR5ANPC1MAPK13MAPK12MAPK11
SCHEMBL12090742 0.82 CYP19A1 (0.48) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL31448498 0.79 NPC1 (0.46) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11285448 0.77 F9 (0.40) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL434004 0.77 NPC1 (0.50) HTR5ANPC1MAPK13MAPK12MAPK11
SCHEMBL30772369 0.76 SRD5A1 (0.47) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6588791 0.76 CCR1 (0.41) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8372280 0.75 SRD5A1 (0.63) 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111587239-B Method for producing lactam compound and lactam compound produced by the method 基础科学研究院 2024-04-02 CN disclosed
US-11174271-B2 6-membered uracil isosteres CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-16 US 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-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby INSTITUTE FOR BASIC SCIENCE (KR) 2021-06-29 US disclosed
EP-2941423-B1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS UNIV SOUTHERN CALIFORNIA (US) 2021-06-09 EP disclosed
EP-2941423-B1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS UNIV SOUTHERN CALIFORNIA (US) 2021-06-09 EP disclosed
US-10889563-B2 Deoxyuridine triphosphatase inhibitors UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2021-01-12 US disclosed
US-10889563-B2 Deoxyuridine triphosphatase inhibitors UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2021-01-12 US disclosed
US-20200331871-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY INSTITUTE FOR BASIC SCIENCE (KR) 2020-10-22 US disclosed
US-20200331871-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY INSTITUTE FOR BASIC SCIENCE (KR) 2020-10-22 US disclosed
US-20080161322-A1 e.g. 1-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]-4-[3-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)propyl]piperazin-4-ium chloride3,4-Dihydroquinolin-2(1H)-one; dopamine D3 receptor antagonists or agonists; antidepressant, schizophrenia, Parkinson's disease ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-07-03 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
EP-1751116-A2 PYRIMIDINE COMPOUNDS AND USE THEREOF Abbott GmbH & Co. KG (DE) 2007-02-14 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
WO-2005118558-A2 PYRIMIDINE COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2005-12-15 WO disclosed
US-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
US-4824840-A ANTIHISTAMINES, NERVOUS SYSTEM CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-04-25 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 (6 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-11174271-B2 6-membered uracil isosteres UNG, DUT, DPYD HTR5A 4135/4885NPC1 2484/4885MAPK13 4373/4885
US-20200331871-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY SQLE, COASY, DHPS HTR5A 2640/4885NPC1 3709/4885MAPK13 4250/4885
US-10889563-B2 Deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD HTR5A 3967/4885NPC1 2462/4885MAPK13 4203/4885
US-20080161322-A1 e.g. 1-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]-4-[3-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)propyl]piperazin-4-ium chloride3,4-Dihydroquinolin-2(1H)-one; dopamine D3 receptor antagonists or agonists; antidepressant, schizophrenia, Parkinson's disease SLC6A3, GRM3, GPR3 HTR5A 63/4885NPC1 3105/4885MAPK13 2927/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HTR5A 2965/4885NPC1 2922/4885MAPK13 1055/4885
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby SQLE, COASY, DHPS HTR5A 2640/4885NPC1 3709/4885MAPK13 4250/4885

“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.