SCHEMBL2054491

SCHEMBL2054491

NCCCCCCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.87
ADRB1 P08588 10/20 0.70
ADRB3 P13945 9/20 0.64
SLC6A2 P23975 2/20 0.62
HTR2A P28223 2/20 0.62
SLC6A4 P31645 2/20 0.62
ADRA1A P35348 2/20 0.62
SLC6A3 Q01959 2/20 0.62
KDM4E B2RXH2 1/20 0.62
HTR1A P08908 1/20 0.62
CHRM5 P08912 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
DRD4 P21917 1/20 0.62
FPR3 P25089 1/20 0.62
ADRA1D P25100 1/20 0.62
HTR1D P28221 1/20 0.62
HTR1B P28222 1/20 0.62
HTR2C P28335 1/20 0.62
GPR183 P32249 1/20 0.62

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
SCHEMBL7724542 0.93 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL7723769 0.93 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL11744855 0.93 ADRB2 (1.00) ADRB2ADRB1ADRB3SLC6A2HTR2A
Acetic Acid SCHEMBL966277 0.93 ADRB2 (0.75) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL966276 0.93 ADRB2 (0.75) ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL11670656 0.92 ADRB2 (0.97) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL965288 0.92 ADRB2 (0.77) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL965289 0.92 ADRB2 (0.77) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL13902861 0.87 ADRB2 (0.87) ADRB2ADRB1ADRB3SLC6A2HTR2A
SCHEMBL13902986 0.87 ADRB2 (0.87) ADRB2ADRB1ADRB3SLC6A2HTR2A

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 40/4885ADRB1 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.