SCHEMBL965291

SCHEMBL965291

Cc1c([C@@H](O)CNCCCCc2ccc(CCCCN)cc2)ccc(O)c1O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 20/20 0.47
ADRB2 P07550 15/20 0.47
ADRB3 P13945 2/20 0.42

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
SCHEMBL7724551 0.85 ADRB2 (0.48) ADRB1ADRB2ADRB3
SCHEMBL11692156 0.84 ADRB1 (0.57) ADRB1ADRB2
Hydrochloric Acid SCHEMBL11692252 0.80 ADRB2 (0.48) ADRB1ADRB2ADRB3
SCHEMBL4869389 0.76 ADRB2 (0.48) ADRB1ADRB2ADRB3
SCHEMBL965289 0.73 ADRB2 (0.77) ADRB1ADRB2ADRB3
SCHEMBL965288 0.73 ADRB2 (0.77) ADRB1ADRB2ADRB3
SCHEMBL4889059 0.72 ADRB2 (0.70) ADRB1ADRB2ADRB3
SCHEMBL2056237 0.71 ADRB3 (0.69) ADRB1ADRB2ADRB3
SCHEMBL7145434 0.71 ADRA2A (0.61) ADRB1ADRB2ADRB3
SCHEMBL2056232 0.70 ADRB2 (0.65) ADRB1ADRB2ADRB3

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 ADRB1 42/4885ADRB2 40/4885ADRB3 62/4885

“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.