SCHEMBL967005

SCHEMBL967005

CS(=O)(=O)Nc1cc([C@H](O)CN(CCCCc2ccc(CCCCNC(N)=NC(=O)c3nc(Cl)c(N)nc3N)cc2)C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.41
ADRB2 P07550 6/20 0.41
CHRM3 P20309 5/20 0.41
SCNN1A P37088 6/20 0.40

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
SCHEMBL965505 1.00 ADRB3 (0.41) ADRB3ADRB2CHRM3SCNN1A
SCHEMBL965509 0.94 ADRB2 (0.38) ADRB3ADRB2CHRM3SCNN1A
SCHEMBL965887 0.90 ADRB3 (0.49) ADRB3ADRB2CHRM3SCNN1A
SCHEMBL11898093 0.90 ADRB3 (0.49) ADRB3ADRB2CHRM3SCNN1A
SCHEMBL963906 0.87 SCNN1A (0.42) ADRB3ADRB2SCNN1A
SCHEMBL965503 0.86 SCNN1A (0.41) ADRB3ADRB2CHRM3SCNN1A
SCHEMBL4293678 0.85 SCNN1A (0.40) ADRB3ADRB2SCNN1A
SCHEMBL2054487 0.80 ADRB2 (0.37) ADRB3ADRB2CHRM3SCNN1A
SCHEMBL969962 0.80 ADRB2 (0.48) ADRB3ADRB2SCNN1A
SCHEMBL11898097 0.77 ADRB3 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035004-B1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES INC (US) 2012-08-08 EP disclosed
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.