SCHEMBL3016447

SCHEMBL3016447

Cc1cc(-c2ccc(C(=O)O)c(O)c2)cc(C)c1OCCN[C@@H](C)[C@@H](O)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.54
ADRB1 P08588 7/20 0.54
ADRB2 P07550 2/20 0.41
LMNA P02545 2/20 0.41
HIF1A Q16665 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
OPRM1 P35372 2/20 0.41
CYP2D6 P10635 1/20 0.41
GALR3 O60755 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL3016442 1.00 ADRB3 (0.54) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL4671597 0.91 ADRB3 (0.52) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL3027904 0.91 ADRB3 (0.52) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL3024231 0.91 ADRB3 (0.52) ADRB3ADRB1ADRB2LMNAHIF1A
Hydrochloric Acid SCHEMBL3201711 0.90 ADRB3 (0.51) ADRB3ADRB1LMNAHIF1ASLC6A2
Hydrochloric Acid SCHEMBL3201725 0.90 ADRB3 (0.51) ADRB3ADRB1LMNAHIF1ASLC6A2
SCHEMBL4997338 0.87 ADRB3 (0.49) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL3182303 0.87 ADRB3 (0.49) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL4997351 0.87 ADRB3 (0.49) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL3182289 0.87 ADRB3 (0.49) ADRB3ADRB1ADRB2LMNAHIF1A

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-20100197788-A9 Preventive or therapeutic agent for disease caused by decrease in lacrimal fluid KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-08-05 US claimed
US-7674938-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-09 US claimed
US-20080306160-A1 Preventive or therapeutic agent for disease caused by decrease in lacrimal fluid KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 US claimed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US claimed
US-7423185-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-09 US claimed
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 EP claimed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US claimed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 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-7674938-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-09 US disclosed
US-20090275626-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEUROGENIC PAIN KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 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
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
US-7423185-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-09 US disclosed
EP-1955707-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEUROGENIC PAIN Kissei Pharmaceutical Co., Ltd. (JP) 2008-08-13 EP disclosed
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 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
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 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 (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-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A ADRB3 1/4885ADRB1 4/4885ADRB2 5/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A ADRB3 1/4885ADRB1 4/4885ADRB2 5/4885
US-20090275626-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEUROGENIC PAIN ADRB3, ALOX5, LTB4R ADRB3 1/4885ADRB1 22/4885ADRB2 26/4885

“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.