SCHEMBL737903

SCHEMBL737903

Cc1cc(C2CC2)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
PDE2A O00408 7/20 0.34
TDP2 O95551 1/20 0.34
TSHR P16473 2/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
MAP3K12 Q12852 1/20 0.32
PLAT P00750 1/20 0.32
GLS O94925 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL23132293 0.90 PSMB8 (0.41) SMN1; SMN2PDE2ATDP2PSMB8PSMB9
SCHEMBL14451899 0.88 QDPR (0.39) PDE2AMAP3K12EPHX2
SCHEMBL18403301 0.87 PLAT (0.43) PLAT
SCHEMBL24746024 0.87 PDE2A (0.44) PDE2ATDP2
SCHEMBL18403238 0.85 SMN1; SMN2 (0.37) SMN1; SMN2PDE2ATSHRPSMB8PSMB9
SCHEMBL18403206 0.82 CHRNB2 (0.37) SMN1; SMN2
SCHEMBL18685612 0.80 MAP3K12 (0.53) PDE2AKDM4EMAP3K12EPHX2
SCHEMBL18403286 0.79 MAP3K12 (0.48) MAP3K12
SCHEMBL11793035 0.78 PLAT (0.37) SMN1; SMN2PSMB8PSMB9MAP3K12PLAT
SCHEMBL2795050 0.77 RET (0.33) PSMB8PSMB9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 WO disclosed
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 US disclosed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 US disclosed
EP-3765459-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Shire Human Genetic Therapies, Inc. (US) 2021-01-20 EP disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2020-10-08 US disclosed
WO-2019178129-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-09-19 WO disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-8202875-B2 Selective insecticides based on substituted cyclic ketoenols and safeners BAYER CROPSCIENCE AG (DE) 2012-06-19 US disclosed
US-20080293676-A1 Insecticidal Agents Based on Selected Insecticides and Safeners BAYER CROPSCIENCE AG (DE) 2008-11-27 US disclosed
US-20080261810-A1 Insecticides Based on Neonicotinoids and Safeners BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-10-23 US disclosed
US-7432225-B2 Selective herbicides based on substituted cyclic keto-enols and safeners BAYER CROPSCIENCE AG (DE) 2008-10-07 US disclosed
EP-1974607-A2 Selective insecticides based on anthranilic acid diamides and safeners Bayer CropScience AG (DE) 2008-10-01 EP disclosed
US-20080220973-A1 2-Alkoxy-6-Alkyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-09-11 US disclosed
US-20080221167-A1 for controlling insects and/or arachnids BAYER CROPSCIENCE AG (DE) 2008-09-11 US disclosed
US-7420062-B2 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE, AG (DE) 2008-09-02 US disclosed
US-20080200499-A1 Selective Insecticides and/or Acaricides Based on Substituted Cyclic Dicarbonyl Compounds and Safeners BAYER CROPSCIENCE AG (DE) 2008-08-21 US disclosed
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-08-07 US disclosed
US-20080026943-A1 Phenyl-Substituted [1,2]-Oxazine-3,5-Dione and Dihydropyrone Derivatives BAYER CROPSCIENCE AG (DE) 2008-01-31 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 (11 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-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 SMN1; SMN2 4772/4885PDE2A 1216/4885TDP2 3587/4885
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS SMN1; SMN2 4626/4885PDE2A 938/4885TDP2 3241/4885
US-20080220973-A1 2-Alkoxy-6-Alkyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives DDT, PAOX, PTPRG SMN1; SMN2 4498/4885PDE2A 1904/4885TDP2 1081/4885
US-20080261810-A1 Insecticides Based on Neonicotinoids and Safeners CYP4X1, PRDX4, PRDX1 SMN1; SMN2 363/4885PDE2A 2987/4885TDP2 3015/4885
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 SMN1; SMN2 1956/4885PDE2A 130/4885TDP2 3884/4885
US-20080188371-A1 4-Biphenyl-Substituted Pyrazolidin-3,5-Dione Derivatives DDT, CYP4X1, HPD SMN1; SMN2 4748/4885PDE2A 951/4885TDP2 977/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 SMN1; SMN2 4772/4885PDE2A 1216/4885TDP2 3587/4885
US-20080200499-A1 Selective Insecticides and/or Acaricides Based on Substituted Cyclic Dicarbonyl Compounds and Safeners DDT, AADAC, ACMSD SMN1; SMN2 2773/4885PDE2A 1817/4885TDP2 4042/4885
US-20080026943-A1 Phenyl-Substituted [1,2]-Oxazine-3,5-Dione and Dihydropyrone Derivatives DDT, CYP1A1, CYP1B1 SMN1; SMN2 4047/4885PDE2A 969/4885TDP2 1064/4885
US-20080221167-A1 for controlling insects and/or arachnids CRYAB, DDC, DDT SMN1; SMN2 3827/4885PDE2A 2519/4885TDP2 4132/4885
US-20080293676-A1 Insecticidal Agents Based on Selected Insecticides and Safeners ACHE, NCS1, HCN1 SMN1; SMN2 3505/4885PDE2A 714/4885TDP2 4156/4885

“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.