SCHEMBL3024886

SCHEMBL3024886

Cc1cc(-c2cc(C(=O)O)ccc2Cl)cc(C)c1OCCN[C@H](C)[C@H](O)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 8/20 0.47
▸ ADRB1 P08588 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ ADRB2 P07550 2/20 0.39
▸ LMNA P02545 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
▸ HIF1A Q16665 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 0.39
▸ SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL3024884 1.00 ADRB3 (0.47) ADRB3ADRB1CYP3A4KCNH2CACNA1C
SCHEMBL3024138 0.90 ADRB3 (0.43) ADRB3ADRB1ADRB2LMNASLC6A2
SCHEMBL3014376 0.90 ADRB3 (0.43) ADRB3ADRB1ADRB2LMNASLC6A2
SCHEMBL3023299 0.89 ADRB3 (0.49) ADRB3ADRB1FFAR4
SCHEMBL3023294 0.89 ADRB3 (0.49) ADRB3ADRB1FFAR4
SCHEMBL3023643 0.88 ADRB3 (0.44) ADRB3ADRB1KCNH2ADRB2LMNA
SCHEMBL3023640 0.88 ADRB3 (0.44) ADRB3ADRB1KCNH2ADRB2LMNA
SCHEMBL4637677 0.88 ADRB3 (0.45) ADRB3ADRB1CYP3A4KCNH2CACNA1C
SCHEMBL4997351 0.87 ADRB3 (0.49) ADRB3ADRB1ADRB2LMNASLC6A2
SCHEMBL3182303 0.87 ADRB3 (0.49) ADRB3ADRB1ADRB2LMNASLC6A2

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 18 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-1938837-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR DISEASE CAUSED BY DECREASE IN LACRIMAL FLUID Kissei Pharmaceutical Co., Ltd. (JP) 2008-07-02 — — EP 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-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-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 (2 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 4/4885CYP3A4 224/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A ADRB3 1/4885ADRB1 4/4885CYP3A4 224/4885

“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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