SCHEMBL2054474

SCHEMBL2054474

COOSNc1cc([C@@H](O)CN(CCCCc2ccc(CCCCN)cc2)C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.48
ADRB2 P07550 3/20 0.45
CHRM3 P20309 2/20 0.45

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
Acetic Acid SCHEMBL963855 0.86 ADRB3 (0.54) ADRB3ADRB2CHRM3
Acetic Acid SCHEMBL963852 0.86 ADRB3 (0.54) ADRB3ADRB2CHRM3
SCHEMBL2054487 0.80 ADRB2 (0.37) ADRB3ADRB2CHRM3
Acetic Acid SCHEMBL965526 0.79 ADRB3 (0.46) ADRB3ADRB2CHRM3
SCHEMBL2056237 0.75 ADRB3 (0.69) ADRB3ADRB2CHRM3
SCHEMBL2054463 0.75 ADRB2 (0.51) ADRB3ADRB2
Acetic Acid SCHEMBL967642 0.73 ADRB2 (0.49) ADRB3ADRB2
Acetic Acid SCHEMBL967644 0.73 ADRB2 (0.49) ADRB3ADRB2
SCHEMBL965548 0.72 ADRB3 (0.62) ADRB3ADRB2
Acetic Acid SCHEMBL966495 0.72 ADRB3 (0.67) ADRB3ADRB2CHRM3

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-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 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-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G ADRB3 62/4885ADRB2 40/4885CHRM3 274/4885

“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.