SCHEMBL2054471

SCHEMBL2054471

C[C@H](CCCc1ccc(CCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)cc1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.48
ADRB3 P13945 13/20 0.44
CHRM3 P20309 1/20 0.42
SCNN1A P37088 2/20 0.41
ADRB1 P08588 1/20 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
SCHEMBL2056265 1.00 ADRB2 (0.48) ADRB2ADRB3CHRM3SCNN1AADRB1
SCHEMBL10126849 1.00 ADRB2 (0.48) ADRB2ADRB3CHRM3SCNN1AADRB1
SCHEMBL12920485 0.95 ADRB2 (0.47) ADRB2ADRB3CHRM3ADRB1
SCHEMBL2056238 0.92 ADRB3 (0.49) ADRB2ADRB3CHRM3SCNN1AADRB1
SCHEMBL965884 0.92 ADRB3 (0.49) ADRB2ADRB3CHRM3SCNN1AADRB1
SCHEMBL965439 0.91 SCNN1A (0.41) ADRB2ADRB3SCNN1AADRB1
SCHEMBL1080554 0.91 SCNN1A (0.41) ADRB2ADRB3SCNN1AADRB1
SCHEMBL2056270 0.91 SCNN1A (0.41) ADRB2ADRB3SCNN1AADRB1
SCHEMBL965437 0.91 SCNN1A (0.41) ADRB2ADRB3SCNN1AADRB1
SCHEMBL967513 0.91 ADRB2 (0.43) ADRB2ADRB3SCNN1AADRB1

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 ADRB2 40/4885ADRB3 62/4885CHRM3 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.