SCHEMBL964356

SCHEMBL964356

N=C(NCCCCCCCCCCCNCC(O)c1ccc(O)c(CO)c1)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.54
ADRB3 P13945 12/20 0.47
ADRB1 P08588 13/20 0.47
SLC6A2 P23975 2/20 0.46
HTR2A P28223 2/20 0.46
SLC6A4 P31645 2/20 0.46
ADRA1A P35348 2/20 0.46
SLC6A3 Q01959 2/20 0.46
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
DRD1 P21728 1/20 0.46
PTGS2 P35354 1/20 0.46
MC3R P41968 1/20 0.46
PDE4D Q08499 1/20 0.46
SCN5A Q14524 1/20 0.46
GHSR Q92847 1/20 0.46
PDE4B Q07343 2/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL964357 1.00 ADRB2 (0.54) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL964057 0.95 ADRB2 (0.52) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL964060 0.95 ADRB2 (0.52) ADRB2ADRB3ADRB1SLC6A2HTR2A
SCHEMBL3059568 0.87 ADRB2 (0.43) ADRB2ADRB3ADRB1PDE4B
SCHEMBL3059566 0.87 ADRB2 (0.43) ADRB2ADRB3ADRB1PDE4B
SCHEMBL964358 0.85 SCNN1A (0.58) ADRB2
SCHEMBL963895 0.83 SCNN1A (0.43) ADRB2ADRB3ADRB1
SCHEMBL963899 0.83 SCNN1A (0.43) ADRB2ADRB3ADRB1
SCHEMBL969959 0.82 ADRB2 (0.48) ADRB2ADRB3ADRB1
SCHEMBL2056239 0.82 ADRB2 (0.48) ADRB2ADRB3ADRB1

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

“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.