SCHEMBL1797282

SCHEMBL1797282

COc1ccc(CC[Mg]Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.61
MAOB P27338 2/20 0.55
CALM1 P0DP23 2/20 0.50
AOC3 Q16853 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
IDO1 P14902 2/20 0.48
F2RL1 P55085 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47

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
SCHEMBL834551 0.79 TAAR1 (0.73) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL1295195 0.79 TAAR1 (0.55) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL9826749 0.79 TAAR1 (0.55) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL467216 0.78 TAAR1 (0.54) TAAR1MAOBCALM1SIGMAR1IDO1
Water SCHEMBL10445073 0.77 TAAR1 (0.52) TAAR1MAOBCALM1SIGMAR1IDO1
SCHEMBL6835490 0.76 TAAR1 (0.61) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL4634 0.76 TAAR1 (1.00) TAAR1MAOBCALM1AOC3IDO1
SCHEMBL365644 0.76 TAAR1 (0.61) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL244070 0.75 CALM1 (0.79) TAAR1MAOBCALM1AOC3SIGMAR1
SCHEMBL4254058 0.75 CALM1 (0.72) TAAR1MAOBCALM1AOC3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951793-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-31 US disclosed
EP-1761509-B1 SUBSTITUTED CYCLOALKYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-05-04 EP disclosed
US-7718670-B2 Quinuclidine amide derivatives LABORATORIOS ALMIRALL S.A (ES) 2010-05-18 US disclosed
EP-1519933-B1 QUINUCLIDINE AMIDE DERIVATIVES ALMIRALL SA (ES) 2010-05-12 EP disclosed
EP-1656368-A4 SUBSTITUTED HERTOCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2009-08-26 EP disclosed
US-7563806-B2 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-21 US disclosed
US-7488735-B2 antagonists of M3 muscarinic receptors; N-(1-Azabicyclo[2.2.2]oct-3-yl)-2-hydroxy-2,2-dithien-2-ylacetamide; respiratory disorders, urological disorders, gastrointestinal disorders, cardiovascular disorders; alkylation LABORATORIOS ALMIRALL S.A. (ES) 2009-02-10 US disclosed
US-20080234316-A1 Quinuclidine Amide Derivatives ALMIRALL AG 2008-09-25 US disclosed
US-7423035-B2 Substituted cycloalkyl derivatives, process for the manufacture thereof and use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-09 US disclosed
US-20080146554-A1 Substituted Cycloalkyl Derivatives, Process for the Manufacture thereof and Use thereof as Medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 US disclosed
EP-1595873-A1 Substituted cycloalkyl derivatives for the treatment of respiratory diseases Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-11-16 EP disclosed
EP-1519933-A1 QUINUCLIDINE AMIDE DERIVATIVES Almirall Prodesfarma AG (CH) 2005-04-06 EP disclosed
US-20040063700-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004004665-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 WO disclosed
WO-2004005285-A1 NEW QUINUCLIDINE AMIDE DERIVATIVES ALMIRALL PRODESFARMA AG (CH) 2004-01-15 WO disclosed
US-5641765-A TREATS PROSTATIC ADENOCARCINOMA, BENIGN PROSTATE HYPERTROPHY; ANTAGONSIT, ANTAGONISM SMITHKLINE BEECHAM CORPORATION (US) 1997-06-24 US disclosed
US-5641877-A 17-α and 17-β substituted acyl-3-carboxy-3, 5-dienes and use in inhibiting 5-α-reductase SMITHKLINE BEECHAM CORPORATION (US) 1997-06-24 US disclosed
EP-0669932-A4 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE. SMITHKLINE BEECHAM CORP (US) 1995-10-25 EP disclosed
EP-0669932-A1 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1995-09-06 EP disclosed
WO-1994011386-A1 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1994-05-26 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-20080234316-A1 Quinuclidine Amide Derivatives CHRM3, CHRM2, CHRM1 TAAR1 192/4885MAOB 764/4885CALM1 861/4885
US-20080146554-A1 Substituted Cycloalkyl Derivatives, Process for the Manufacture thereof and Use thereof as Medicament CHRM1, CHRM2, CHRM3 TAAR1 419/4885MAOB 852/4885CALM1 2078/4885
US-20040063700-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method GPR119, SLC5A2, GLP1R TAAR1 2993/4885MAOB 2233/4885CALM1 4214/4885

“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.