SCHEMBL3574604

SCHEMBL3574604

O=C(OC1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 1.00
CHRM2 P08172 9/20 1.00
CHRM1 P11229 9/20 1.00
KDM4E B2RXH2 1/20 0.71
ALDH1A1 P00352 1/20 0.71
POLB P06746 1/20 0.71
CHRNA7 P36544 2/20 0.52
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
CHRM4 P08173 2/20 0.50
CHRM5 P08912 2/20 0.50

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
SCHEMBL7200244 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1KDM4EALDH1A1
SCHEMBL73904 0.83 CHRM3 (0.85) CHRM3CHRM2CHRM1KDM4EALDH1A1
SCHEMBL4668972 0.75 CHRM3 (0.80) CHRM3CHRM2CHRM1
SCHEMBL13875521 0.74 CHRM3 (0.59) CHRM3CHRM2CHRM1KDM4EALDH1A1
SCHEMBL5532368 0.74 CHRM1 (0.59) CHRM3CHRM2CHRM1KDM4EALDH1A1
SCHEMBL2821129 0.74 CHRM2 (1.00) CHRM3CHRM2CHRM1CHRNA7
SCHEMBL2819759 0.74 CHRM2 (1.00) CHRM3CHRM2CHRM1CHRNA7
SCHEMBL2819221 0.74 CHRM2 (1.00) CHRM3CHRM2CHRM1CHRNA7
SCHEMBL7514667 0.74 CHRM3 (0.59) CHRM3CHRM2CHRM1KDM4EALDH1A1
Bromide SCHEMBL4636715 0.74 CHRM3 (0.81) CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029728-A1 PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-02-04 US disclosed
US-20080181970-A1 Combinations of Vanadium with Antidiabetics for Glucose Metabolism Disorders AKESIS PHARMACEUTICALS (US) 2008-07-31 US disclosed
US-20070207218-A1 Combinations of vanadium with antidiabetics for glucose metabolism disorders AKESIS PHARMACEUTICALS (US) 2007-09-06 US disclosed
US-20070196512-A1 Combinations of vanadium with antidiabetics for glucose metabolism disorders AKESIS PHARMACEUTICALS (US) 2007-08-23 US disclosed
US-20070092584-A1 Combinations of chromium with antidiabetics for glucose metabolism disorders AKESIS PHARMACEUTICALS (US) 2007-04-26 US disclosed
US-20060003981-A1 Combinations of chromium or vanadium with antidiabetics for glucose metabolism disorders FINE STUART A 2006-01-05 US disclosed
US-20050233947-A1 Combinations of chromium or vanadium with antidiabetics FINE STUART A 2005-10-20 US disclosed
US-20050203027-A1 Inhibitors of dipeptidylpeptidase IV TRUSTEES OF TUFTS COLLEGE (US) 2005-09-15 US disclosed
US-20050187144-A1 Combinations of chromium or vanadium with antidiabetics for glucose metabolism disorders FINE STUART A (US) 2005-08-25 US disclosed
US-20040228846-A1 Methods and reagents for treating glucose metabolic disorders CURIS, INC. 2004-11-18 US disclosed
US-20030153509-A1 Inhibiting the dipeptidylpeptidase proteolysis of Glucagon-like peptide, by administering a dipeptides consisting Pro-Pro, Ala-Pro, and (D)-Ala-(L)-Ala; treating metabolism disorders, diabetes, obesity, atherosclerosis ARISAPH PHARMACEUTICALS, INC. 2003-08-14 US disclosed
US-6107499-A FACILITATING THE TRANSPORT OF A NEUROTRANSMITTER ACROSS THE BLOOD BRAIN BARRIER BY ADMINISTERING THE DRUG, A NEUROTRANSMITTER SUCH AS DOPAMINE COVALENTLY COUPLED TO A SINGLE, STRAIGHT-CHAINED FATTY ACID CARRIER MOLECULE NEUROMEDICA, INC. (US) 2000-08-22 US disclosed
US-5994392-A PASSAGE OF DRUG THROUGH BLOOD BRAIN BARRIER NEUROMEDICA, INC. (US) 1999-11-30 US disclosed
US-5712265-A ANTIDIABETIC AGENTS AND METABOIC AGGENTS THE GENERAL HOSPITAL CORPORATION (US) 1998-01-27 US disclosed
EP-0764026-A4 ADMINISTRATION OF PIRENZEPINE, METHYL SCOPOLAMINE AND OTHER MUSCARINIC RECEPTOR ANTAGONISTS FOR TREATMENT OF LIPID METABOLISM DISORDERS ERGO SCIENCE INC (US) 1997-12-29 EP disclosed
US-5700795-A ADMINISTERING AT PREDETERMINED TIME TO DECREASE HYPERINSULINEMIA, HYPERGLYCEMIA, INSULIN RESISTANCE THE GENERAL HOSPITAL CORPORATION (US) 1997-12-23 US disclosed
US-5668155-A ALTERING LIPID METABOLISM IN VERTEBRATES FOR REDUCTION OF FATS THE GENERAL HOSPITAL CORPORATION (US) 1997-09-16 US disclosed
EP-0764026-A1 ADMINISTRATION OF PIRENZEPINE, METHYL SCOPOLAMINE AND OTHER MUSCARINIC RECEPTOR ANTAGONISTS FOR TREATMENT OF LIPID METABOLISM DISORDERS ERGO SCIENCE INCORPORATED (US) 1997-03-26 EP disclosed
WO-1995035110-A1 ADMINISTRATION OF PIRENZEPINE, METHYL SCOPOLAMINE AND OTHER MUSCARINIC RECEPTOR ANTAGONISTS FOR TREATMENT OF LIPID METABOLISM DISORDERS ERGO SCIENCE INCORPORATED (US) 1995-12-28 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-20100029728-A1 PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C CHRM3 345/4885CHRM2 648/4885CHRM1 674/4885
US-20050203027-A1 Inhibitors of dipeptidylpeptidase IV DPP4, DPP3, DPP7 CHRM3 3102/4885CHRM2 4292/4885CHRM1 3727/4885
US-20030153509-A1 Inhibiting the dipeptidylpeptidase proteolysis of Glucagon-like peptide, by administering a dipeptides consisting Pro-Pro, Ala-Pro, and (D)-Ala-(L)-Ala; treating metabolism disorders, diabetes, obesity, atherosclerosis DPP4, ENPEP, PEPD CHRM3 4291/4885CHRM2 4409/4885CHRM1 4631/4885

“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.