SCHEMBL964175

SCHEMBL964175

N=C(NCCCCc1ccc(OCCNC[C@H](O)c2ccc(O)c(NC=O)c2)cc1)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.56
ADRB1 P08588 4/20 0.46
ADRB3 P13945 4/20 0.46
SCNN1A P37088 9/20 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
SCHEMBL969959 0.94 ADRB2 (0.48) ADRB2ADRB1ADRB3SCNN1A
SCHEMBL2056239 0.94 ADRB2 (0.48) ADRB2ADRB1ADRB3SCNN1A
SCHEMBL11918821 0.92 ADRB2 (0.49) ADRB2ADRB1ADRB3SCNN1A
SCHEMBL12920489 0.91 SCNN1A (0.45) ADRB2ADRB3SCNN1A
SCHEMBL3059568 0.89 ADRB2 (0.43) ADRB2ADRB1ADRB3SCNN1A
SCHEMBL3059566 0.89 ADRB2 (0.43) ADRB2ADRB1ADRB3SCNN1A
SCHEMBL2056258 0.88 ADRB2 (0.44) ADRB2ADRB1ADRB3SCNN1A
SCHEMBL2056235 0.87 ADRB2 (0.43) ADRB2ADRB1ADRB3SCNN1A
SCHEMBL967513 0.87 ADRB2 (0.43) ADRB2ADRB1ADRB3SCNN1A
SCHEMBL2054442 0.87 SCNN1A (0.45) ADRB2SCNN1A

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 7 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-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US 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
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 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 ADRB2 40/4885ADRB1 42/4885ADRB3 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.