SCHEMBL2054442

SCHEMBL2054442

N=C(NCCCCc1ccc(OCCNC[C@H](O)Cc2ccc(NC=O)c(O)c2)cc1)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 18/20 0.45
ADRB2 P07550 2/20 0.39

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
SCHEMBL964175 0.87 ADRB2 (0.56) SCNN1AADRB2
SCHEMBL9913784 0.81 SCNN1A (0.54) SCNN1A
SCHEMBL12251717 0.81 SCNN1A (0.53) SCNN1A
SCHEMBL11918821 0.81 ADRB2 (0.49) SCNN1AADRB2
Hydrochloric Acid SCHEMBL2325215 0.81 SCNN1A (0.53) SCNN1A
SCHEMBL12908909 0.81 SCNN1A (0.55) SCNN1A
Hydrochloric Acid SCHEMBL937663 0.80 SCNN1A (0.54) SCNN1A
SCHEMBL969959 0.80 ADRB2 (0.48) SCNN1AADRB2
SCHEMBL2056239 0.80 ADRB2 (0.48) SCNN1AADRB2
SCHEMBL12920489 0.80 SCNN1A (0.45) SCNN1AADRB2

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 4 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-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

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 SCNN1A 34/4885ADRB2 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.