SCHEMBL4814553

SCHEMBL4814553

Cc1cc(-c2cccc(C(=O)OCc3ccccc3)c2)cc(C)c1OCCN[C@@H](C)[C@@H](O)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ADRB3 P13945 4/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ADRB1 P08588 1/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1B P35368 1/20 0.35

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
SCHEMBL4814529 1.00 MRGPRX4 (0.38) MRGPRX4L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL4815109 0.93 ADRB3 (0.39) L3MBTL1ADRB3TRPV1PDE4APDE4B
SCHEMBL4815105 0.93 ADRB3 (0.39) L3MBTL1ADRB3TRPV1PDE4APDE4B
SCHEMBL4814502 0.89 ADRB3 (0.39) KDM4EADRB3TRPV1PDE4APDE4B
SCHEMBL4814509 0.89 ADRB3 (0.39) KDM4EADRB3TRPV1PDE4APDE4B
SCHEMBL4814901 0.89 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1ADRB3
SCHEMBL4814918 0.89 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1ADRB3
SCHEMBL4811657 0.87 MEN1 (0.39) ADRB3MEN1KMT2ANR3C1
SCHEMBL4811684 0.87 MEN1 (0.39) ADRB3MEN1KMT2ANR3C1
SCHEMBL4811819 0.85 ADRB3 (0.39) KDM4EADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 — — US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 — — US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 — — 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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A MRGPRX4 401/4885L3MBTL1 1968/4885RAB9A 577/4885

“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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