SCHEMBL3027520

SCHEMBL3027520

CCOC(=O)COc1cc(C)c(CCN[C@@H](C)[C@@H](O)c2ccc(O)cc2)cc1C

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.68
ADRB2 P07550 2/20 0.47
LMNA P02545 2/20 0.47
HIF1A Q16665 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
OPRM1 P35372 2/20 0.47
ADRB1 P08588 2/20 0.47
CYP2D6 P10635 1/20 0.47
GALR3 O60755 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRK1 P41145 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL2250255 1.00 ADRB3 (0.68) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL14307655 1.00 ADRB3 (0.68) ADRB3ADRB2LMNAHIF1ASLC6A2
Hydrochloric Acid SCHEMBL4608896 0.99 ADRB3 (0.68) ADRB3ADRB2LMNAHIF1ASLC6A2
Hydrochloric Acid SCHEMBL2250378 0.99 ADRB3 (0.68) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6814366 0.92 ADRB3 (0.75) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6814376 0.92 ADRB3 (0.75) ADRB3ADRB2LMNAHIF1ASLC6A2
Ritobegron SCHEMBL1404071 0.89 ADRB3 (0.64) ADRB3ADRB2LMNAHIF1ASLC6A2
Ritobegron SCHEMBL5916906 0.89 ADRB3 (0.64) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL13653975 0.89 ADRB3 (0.54) ADRB3ADRB2LMNAHIF1ASLC6A2
Ritobegron SCHEMBL1404072 0.89 ADRB3 (0.64) ADRB3ADRB2LMNAHIF1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620085-B1 USE OF PHENOXYACETIC ACID DERIVATIVES FOR TREATING HYPERACTIVE BLADDER KISSEI PHARMACEUTICAL (JP) 2008-07-23 EP claimed
EP-1620085-A1 USE OF PHENOXYACETIC ACID DERIVATIVES FOR TREATING HYPERACTIVE BLADDER Kissei Pharmaceutical Co., Ltd. (JP) 2006-02-01 EP claimed
WO-2004098586-A1 USE OF PHENOXYACETIC ACID DERIVATIVES FOR TREATING HYPERACTIVE BLADDER KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 WO claimed
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP claimed
US-20100197788-A9 Preventive or therapeutic agent for disease caused by decrease in lacrimal fluid KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-08-05 US disclosed
US-20080306160-A1 Preventive or therapeutic agent for disease caused by decrease in lacrimal fluid KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 US disclosed
EP-1620085-B1 USE OF PHENOXYACETIC ACID DERIVATIVES FOR TREATING HYPERACTIVE BLADDER KISSEI PHARMACEUTICAL (JP) 2008-07-23 EP disclosed
EP-1938837-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR DISEASE CAUSED BY DECREASE IN LACRIMAL FLUID Kissei Pharmaceutical Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1620085-A1 USE OF PHENOXYACETIC ACID DERIVATIVES FOR TREATING HYPERACTIVE BLADDER Kissei Pharmaceutical Co., Ltd. (JP) 2006-02-01 EP disclosed
WO-2004098586-A1 USE OF PHENOXYACETIC ACID DERIVATIVES FOR TREATING HYPERACTIVE BLADDER KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 WO disclosed
US-20040229947-A1 Method of treating hyperactive bladder using phenoxyacetic acid derivatives KISSEI PHARMACEUTICAL CO., LTD. 2004-11-18 US disclosed
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP 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-20040229947-A1 Method of treating hyperactive bladder using phenoxyacetic acid derivatives BPHL, HTR5A, PNMT ADRB3 123/4885ADRB2 96/4885LMNA 4385/4885

“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.