SCHEMBL964057

SCHEMBL964057

N=C(NCCCCc1ccc(CCCCNCC(O)c2ccc(O)c(CO)c2)cc1)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.52
ADRB1 P08588 11/20 0.52
ADRB3 P13945 10/20 0.50
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.48
HTR1A P08908 1/20 0.48
CHRM5 P08912 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
DRD4 P21917 1/20 0.48
SLC6A2 P23975 1/20 0.48
FPR3 P25089 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL964060 1.00 ADRB2 (0.52) ADRB2ADRB1ADRB3KDM4EMEN1
SCHEMBL964356 0.95 ADRB2 (0.54) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL964357 0.95 ADRB2 (0.54) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL963899 0.89 SCNN1A (0.43) ADRB2ADRB1ADRB3
SCHEMBL963895 0.89 SCNN1A (0.43) ADRB2ADRB1ADRB3
SCHEMBL2056239 0.88 ADRB2 (0.48) ADRB2ADRB1ADRB3
SCHEMBL969959 0.88 ADRB2 (0.48) ADRB2ADRB1ADRB3
SCHEMBL965884 0.87 ADRB3 (0.49) ADRB2ADRB1ADRB3
SCHEMBL2056238 0.87 ADRB3 (0.49) ADRB2ADRB1ADRB3
SCHEMBL964062 0.87 SCNN1A (0.64)

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 40/4885ADRB1 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.