SCHEMBL4070956

SCHEMBL4070956

Oc1cccc(C2CCCC(NCC(O)c3cccc(Cl)c3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.43
ADRB1 P08588 2/20 0.43
OPRK1 P41145 2/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL13812945 1.00 ADRB3 (0.43) ADRB3ADRB1OPRK1KDM4E
SCHEMBL4073010 1.00 ADRB3 (0.43) ADRB3ADRB1OPRK1KDM4E
SCHEMBL13799343 1.00 ADRB3 (0.43) ADRB3ADRB1OPRK1KDM4E
SCHEMBL7052344 1.00 ADRB3 (0.43) ADRB3ADRB1OPRK1KDM4E
SCHEMBL13799342 1.00 ADRB3 (0.43) ADRB3ADRB1OPRK1KDM4E
Hydrochloric Acid SCHEMBL7056385 0.99 ADRB3 (0.43) ADRB3ADRB1OPRK1KDM4E
SCHEMBL7058117 0.94 ADRB3 (0.44) ADRB3ADRB1OPRK1
SCHEMBL7058116 0.94 ADRB3 (0.44) ADRB3ADRB1OPRK1
SCHEMBL7056462 0.90 ADRB3 (0.44) ADRB3ADRB1KDM4E
SCHEMBL8076934 0.90 ADRB3 (0.44) ADRB3ADRB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287864-A1 Production Method of Phenylethanolamine Compound, and Its Intermediate MITSUBISHI PHARMA CORPORATION (JP) 2007-12-13 US claimed
EP-1806335-A1 METHOD FOR PRODUCING PHENYLETHANOLAMINE COMPOUND AND INTERMEDIATE THEREOF Mitsubishi Pharma Corporation (JP) 2007-07-11 EP claimed
CN-105579057-A METHODS AND COMPOSITIONS COMPRISING DESMOPRESSIN IN COMBINATION WITH A BETA-3 ADRENERGIC RECEPTOR AGONIST ALLERGAN INC 2016-05-11 CN disclosed
US-7544841-B2 Production method of phenylethanolamine compound, and its intermediate MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-09 US disclosed
US-7544841-B2 Production method of phenylethanolamine compound, and its intermediate MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-09 US disclosed
US-7544841-B2 Production method of phenylethanolamine compound, and its intermediate MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-09 US disclosed
CN-101212985-A Kinin antagonists for treating bladder dysfunction JERINI AG (DE) 2008-07-02 CN disclosed
US-20070287864-A1 Production Method of Phenylethanolamine Compound, and Its Intermediate MITSUBISHI PHARMA CORPORATION (JP) 2007-12-13 US disclosed
US-20070287864-A1 Production Method of Phenylethanolamine Compound, and Its Intermediate MITSUBISHI PHARMA CORPORATION (JP) 2007-12-13 US disclosed
US-20070287864-A1 Production Method of Phenylethanolamine Compound, and Its Intermediate MITSUBISHI PHARMA CORPORATION (JP) 2007-12-13 US disclosed
EP-1806335-A1 METHOD FOR PRODUCING PHENYLETHANOLAMINE COMPOUND AND INTERMEDIATE THEREOF Mitsubishi Pharma Corporation (JP) 2007-07-11 EP disclosed
EP-1806335-A1 METHOD FOR PRODUCING PHENYLETHANOLAMINE COMPOUND AND INTERMEDIATE THEREOF Mitsubishi Pharma Corporation (JP) 2007-07-11 EP disclosed
CN-1791399-A Methods for treating lower urinary tract disorders using smooth muscle modulators and alpha-2-delta subunit calcium channel modulators DYNOGEN PHARMACEUTICALS INC (US) 2006-06-21 CN 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 (1 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-20070287864-A1 Production Method of Phenylethanolamine Compound, and Its Intermediate PNMT, COMT, CYP2E1 ADRB3 4/4885ADRB1 7/4885OPRK1 29/4885

“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.