SCHEMBL4816892

SCHEMBL4816892

CS(=O)(=O)Nc1cc([C@H](O)CNCCOc2ccc(-c3ccc(C(=O)O)cc3Cl)cc2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 16/20 0.57
▸ ADRB1 P08588 4/20 0.51
▸ CHRM3 P20309 3/20 0.50
▸ ADRB2 P07550 2/20 0.49
▸ SRD5A2 P31213 1/20 0.47

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
SCHEMBL4816889 1.00 ADRB3 (0.57) ADRB3ADRB1CHRM3ADRB2SRD5A2
SCHEMBL4819098 0.95 ADRB3 (0.55) ADRB3ADRB1CHRM3ADRB2
SCHEMBL4819109 0.95 ADRB3 (0.55) ADRB3ADRB1CHRM3ADRB2
SCHEMBL4814538 0.91 ADRB3 (0.58) ADRB3ADRB1CHRM3ADRB2
SCHEMBL4814525 0.91 ADRB3 (0.58) ADRB3ADRB1CHRM3ADRB2
SCHEMBL4809003 0.91 ADRB3 (0.58) ADRB3ADRB1CHRM3ADRB2
SCHEMBL4808990 0.91 ADRB3 (0.58) ADRB3ADRB1CHRM3ADRB2
SCHEMBL4817429 0.90 ADRB3 (0.57) ADRB3ADRB1CHRM3ADRB2
SCHEMBL4817420 0.90 ADRB3 (0.57) ADRB3ADRB1CHRM3ADRB2
SCHEMBL4814068 0.90 ADRB3 (0.64) ADRB3ADRB1

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 2 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

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 ADRB3 5/4885ADRB1 4/4885CHRM3 17/4885

“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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