SCHEMBL3792011

SCHEMBL3792011

CCCc1ccc2occc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.55
CYP2A6 P11509 2/20 0.43
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
DYRK1A Q13627 2/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
CDK9 P50750 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
EPM2A O95278 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN6 P29350 1/20 0.39
CDC14A Q9UNH5 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
SCHEMBL1603347 0.89 HTR1B (0.53) HTR1BCYP2A6CA2CA12CHRM2
SCHEMBL7472414 0.87 HTR1B (0.51) HTR1BCA2CA12CHRM2CHRM1
Ammonia Solution, Strong SCHEMBL9564542 0.87 HTR1B (0.51) HTR1BCYP2A6CA2CA12CHRM2
SCHEMBL28493440 0.86 HTR1B (0.50) HTR1BCHRM2CHRM1CHRM3
SCHEMBL3794299 0.85 CHRM2 (0.56) HTR1BCYP2A6CA2CA12CHRM2
SCHEMBL105735 0.84 HTR1B (0.58) HTR1BCYP2A6CA2CA12DYRK1A
SCHEMBL4451104 0.81 HTR1B (0.50) HTR1BCYP2A6CA2CA12DYRK1A
SCHEMBL4521327 0.81 HTR1B (0.50) HTR1BCYP2A6CA2CA12CHRM2
SCHEMBL2763193 0.81 HTR1B (0.50) HTR1BCYP2A6CHRM2CHRM1CHRM3
SCHEMBL2095978 0.81 HTR1B (0.50) HTR1BCYP2A6CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133245-A1 MODIFIED POLYVINYLCHLORIDES AND CHLOROPARRAFINS OHIO STATE INNOVATION FOUNDATION 2023-05-04 US disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-10790453-B2 Compounds and organic electronic device using the same LG CHEM, LTD. (KR) 2020-09-29 US disclosed
US-20200289456-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS, INC., 2020-09-17 US disclosed
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2020-07-02 US disclosed
US-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed
US-20190276744-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-12 US disclosed
US-10407619-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-10 US disclosed
US-20080216562-A1 Pure darifenacin hydrobromide substantially free of oxidized darifenacin and salts thereof and processes for the preparation thereof TEVA PHARMACEUTICALS USA, INC. FOR BARBADOS 2008-09-11 US disclosed
US-20080214846-A1 Pure darifenacin hydrobromide substantially free of oxidized darifenacin and salts thereof and processes for the preparation thereof TEVA PHARMACEUTICALS USA, INC. FOR BARBADOS 2008-09-04 US disclosed
EP-1572648-B1 3,6-DISUBSTITUTED AZABICYCLO (3.1.0)-HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2008-07-09 EP disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-20070197630-A1 Pure darifenacin hydrobromide substantially free of oxidized darifenacin and salts thereof and processes for the preparation thereof TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2007-08-23 US disclosed
WO-2007076159-A2 PURE DARIFENACIN HYDROBROMIDE SUBSTANTIALLY FREE OF OXIDIZED DARIFENACIN AND SALTS THEREOF AND PROCESSES FOR THE PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-07-05 WO disclosed
US-7232835-B2 3,6-Disubstituted azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-06-19 US disclosed
US-7232835-B2 3,6-Disubstituted azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-06-19 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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 (7 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-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP HTR1B 3535/4885CYP2A6 944/4885CA2 2595/4885
US-20200289456-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE HCCS, CYP2E1, CYP7A1 HTR1B 4439/4885CYP2A6 137/4885CA2 1633/4885
US-20070197630-A1 Pure darifenacin hydrobromide substantially free of oxidized darifenacin and salts thereof and processes for the preparation thereof OPRL1, OPRK1, OPRD1 HTR1B 648/4885CYP2A6 437/4885CA2 2928/4885
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP HTR1B 3535/4885CYP2A6 944/4885CA2 2595/4885
US-10790453-B2 Compounds and organic electronic device using the same VDAC2, EED, VDAC3 HTR1B 3758/4885CYP2A6 1147/4885CA2 3527/4885
US-20080214846-A1 Pure darifenacin hydrobromide substantially free of oxidized darifenacin and salts thereof and processes for the preparation thereof OPRL1, OPRK1, OPRD1 HTR1B 648/4885CYP2A6 437/4885CA2 2928/4885
US-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 HTR1B 4733/4885CYP2A6 3817/4885CA2 909/4885

“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.