SCHEMBL4971307

SCHEMBL4971307

CC(Cl)c1ccc2occc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.46
CYP2A6 P11509 2/20 0.43
DYRK1A Q13627 5/20 0.41
CDK9 P50750 1/20 0.40
FFAR1 O14842 1/20 0.39
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
EPM2A O95278 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN6 P29350 1/20 0.36
CDC14A Q9UNH5 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36

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
SCHEMBL25482164 0.85 HTR1B (0.44) HTR1BCYP2A6DYRK1ACDK9FFAR1
SCHEMBL2607415 0.84 HTR1B (0.49) HTR1BCYP2A6DYRK1ACDK9FFAR1
SCHEMBL24111227 0.81 HTR1B (0.52) HTR1BCYP2A6DYRK1ACDK9FFAR1
SCHEMBL19706940 0.81 HTR1B (0.46) HTR1BCYP2A6DYRK1ACDK9FFAR1
SCHEMBL16844538 0.81 UGT2B7 (0.50) HTR1BCYP2A6DYRK1ACDK9FFAR1
SCHEMBL31295594 0.81 UGT2B7 (0.50) HTR1BCYP2A6DYRK1ACDK9FFAR1
SCHEMBL2096771 0.81 HTR1B (0.46) HTR1BCYP2A6DYRK1ACDK9FFAR1
SCHEMBL15039440 0.81 HTR1B (0.46) HTR1BCYP2A6DYRK1ACDK9FFAR1
SCHEMBL28459447 0.81 HTR1B (0.46) HTR1BCYP2A6DYRK1ACDK9FFAR1
SCHEMBL20023702 0.81 HTR1B (0.46) HTR1BCYP2A6DYRK1ACDK9FFAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269504-A1 Pure darifenacin hydrobromide substantially free of oxidized darifenacin and salts thereof and processes for the preparation thereof TEVA PHARMACEUTICAL FINE CHEMICALS S.R.I. 2008-10-30 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
EP-1966179-A2 DARIFENACIN HYDROBROMIDE COMPOSITION SUBSTANTIALLY FREE OF OXIDIZED DARIFENACIN AND SALTS THEREOF AND PROCESSES FOR THE PREPARATION THEREOF Teva Pharmaceutical Industries Ltd (IL) 2008-09-10 EP 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
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

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

For each of this compound's patents that has machine-readable text (3 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-20080269504-A1 Pure darifenacin hydrobromide substantially free of oxidized darifenacin and salts thereof and processes for the preparation thereof OPRL1, OPRK1, OPRD1 HTR1B 648/4885CYP2A6 437/4885DYRK1A 2246/4885
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 437/4885DYRK1A 2246/4885
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 437/4885DYRK1A 2246/4885

“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.