SCHEMBL4394231

SCHEMBL4394231

O=C(O)COc1ccc2c(c1)CC(NCC(O)c1cccc(Cl)c1)CCC2

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.90
ADRB1 P08588 7/20 0.90

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
SCHEMBL8766509 1.00 ADRB3 (0.90) ADRB3ADRB1
SCHEMBL4394226 1.00 ADRB3 (0.90) ADRB3ADRB1
Hydrochloric Acid SCHEMBL3776071 0.99 ADRB3 (0.88) ADRB3ADRB1
Hydrochloric Acid SCHEMBL3776076 0.99 ADRB3 (0.88) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4396758 0.98 ADRB3 (0.87) ADRB3ADRB1
Hydrochloric Acid SCHEMBL4396756 0.98 ADRB3 (0.87) ADRB3ADRB1
SCHEMBL4640099 0.95 ADRB3 (1.00) ADRB3ADRB1
SCHEMBL3873178 0.95 ADRB3 (1.00) ADRB3ADRB1
SCHEMBL3873179 0.95 ADRB3 (1.00) ADRB3ADRB1
Hydrochloric Acid SCHEMBL3878376 0.94 ADRB3 (0.98) ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123268-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASE ASSOCIATED WITH TEAR REDUCTION Kissei Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP claimed
EP-2123268-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF DISEASE ASSOCIATED WITH TEAR REDUCTION Kissei Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP disclosed
US-20090012161-A9 Pharmaceutical composition comprising a beta-3-adrenoceptor agonist and a serotonin and/or norepinephrine reuptake inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 US disclosed
US-20070078181-A1 Use of a beta-3-agonist for the treatment of patients with spinal cord injury and suffering from renal and bladder complaints MICHEL MARTIN C 2007-04-05 US disclosed
US-20060084700-A1 Use of a beta-3 agonist for the treatment of disorders of the prostate and of the lower urogenital tract BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-20 US disclosed
US-20050261328-A1 Pharmaceutical composition comprising beta-3-adrenoceptor-agonists and antimuscarinic agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
US-20050261369-A1 Pharmaceutical composition comprising a beta-3-adrenoceptor agonist and a serotonin and/or norepinephrine reuptake inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
US-20050154041-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and alpha-agonist BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2005-07-14 US disclosed
US-20050119239-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and an active substance which influences prostaglandin metabolism BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-02 US disclosed
US-20050101607-A1 Pharmaceutical composition containing a beta-3-adrenoceptor agonist and an alpha antagonist and/or a 5-alpha reductase inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-12 US disclosed
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 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 (8 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-20050101607-A1 Pharmaceutical composition containing a beta-3-adrenoceptor agonist and an alpha antagonist and/or a 5-alpha reductase inhibitor ADRB1, ADRB3, ADRB2 ADRB3 2/4885ADRB1 1/4885
US-20050261369-A1 Pharmaceutical composition comprising a beta-3-adrenoceptor agonist and a serotonin and/or norepinephrine reuptake inhibitor ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB1 3/4885
US-20050154041-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and alpha-agonist ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB1 3/4885
US-20050261328-A1 Pharmaceutical composition comprising beta-3-adrenoceptor-agonists and antimuscarinic agents ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB1 3/4885
US-20060084700-A1 Use of a beta-3 agonist for the treatment of disorders of the prostate and of the lower urogenital tract ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB1 3/4885
US-20050119239-A1 Pharmaceutical composition consisting of a beta-3-adrenoceptor agonist and an active substance which influences prostaglandin metabolism ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB1 3/4885
US-20070078181-A1 Use of a beta-3-agonist for the treatment of patients with spinal cord injury and suffering from renal and bladder complaints ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB1 3/4885
US-20090012161-A9 Pharmaceutical composition comprising a beta-3-adrenoceptor agonist and a serotonin and/or norepinephrine reuptake inhibitor ADRB3, ADRB2, ADRB1 ADRB3 1/4885ADRB1 3/4885

“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.