SCHEMBL3013559

SCHEMBL3013559

COc1cc(C(=O)O)ccc1-c1cc(C)c(OCCN[C@H](C)[C@H](O)c2ccc(O)cc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 9/20 0.43
▸ ADRB1 P08588 3/20 0.43
▸ ROCK2 O75116 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ ADRB2 P07550 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL3013556 1.00 ADRB3 (0.43) ADRB3ADRB1ROCK2ROCK1ADRB2
SCHEMBL3023643 0.93 ADRB3 (0.44) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL3023640 0.93 ADRB3 (0.44) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL3014376 0.91 ADRB3 (0.43) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL3024138 0.91 ADRB3 (0.43) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL3024886 0.86 ADRB3 (0.47) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL3024884 0.86 ADRB3 (0.47) ADRB3ADRB1ADRB2LMNAHIF1A
SCHEMBL4811667 0.86 ADRB3 (0.41) ADRB3ADRB1ADRB2
SCHEMBL4811650 0.86 ADRB3 (0.41) ADRB3ADRB1ADRB2
SCHEMBL3023845 0.86 ADRB3 (0.42) 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 14 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
EP-1938837-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR DISEASE CAUSED BY DECREASE IN LACRIMAL FLUID Kissei Pharmaceutical Co., Ltd. (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
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-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-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-1938837-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR DISEASE CAUSED BY DECREASE IN LACRIMAL FLUID Kissei Pharmaceutical Co., Ltd. (JP) 2008-07-02 — — 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 (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 4/4885ROCK2 2103/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A ADRB3 1/4885ADRB1 4/4885ROCK2 2103/4885
US-20090275626-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF NEUROGENIC PAIN ADRB3, ALOX5, LTB4R ADRB3 1/4885ADRB1 22/4885ROCK2 4562/4885

“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.

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