SCHEMBL965548

SCHEMBL965548

CC(CCCc1ccc(CCCCN)cc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.62
ADRB2 P07550 2/20 0.57

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
SCHEMBL2054532 0.90 ADRB3 (0.64) ADRB3ADRB2
SCHEMBL2056237 0.86 ADRB3 (0.69) ADRB3ADRB2
SCHEMBL966484 0.85 ADRB2 (0.60) ADRB3ADRB2
SCHEMBL2056236 0.85 ADRB2 (0.60) ADRB3ADRB2
SCHEMBL2054514 0.85 ADRB2 (0.50) ADRB3ADRB2
SCHEMBL966485 0.85 ADRB2 (0.60) ADRB3ADRB2
SCHEMBL2056233 0.85 ADRB2 (0.60) ADRB3ADRB2
Acetic Acid SCHEMBL11898047 0.84 ADRB3 (0.54) ADRB3ADRB2
Acetic Acid SCHEMBL966495 0.83 ADRB3 (0.67) ADRB3ADRB2
Acetic Acid SCHEMBL966494 0.83 ADRB3 (0.67) ADRB3ADRB2

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 40/4885

“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.