SCHEMBL2054514

SCHEMBL2054514

CC(=O)Nc1cc([C@@H](O)CNC(C)CCCc2ccc(CCCCN)cc2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.50
ADRB1 P08588 8/20 0.50
ADRA1A P35348 7/20 0.50
ADRA1D P25100 5/20 0.50
ADRA1B P35368 5/20 0.50
CYP2D6 P10635 4/20 0.50
HSD17B10 Q99714 3/20 0.50
LMNA P02545 3/20 0.50
SLC6A4 P31645 3/20 0.50
CYP1A2 P05177 3/20 0.50
ADRA2A P08913 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HTR1A P08908 2/20 0.50
SLC6A2 P23975 2/20 0.50
NFKB1 P19838 2/20 0.50
HIF1A Q16665 2/20 0.50
DRD3 P35462 2/20 0.50
SLC6A3 Q01959 2/20 0.50

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
SCHEMBL966484 0.86 ADRB2 (0.60) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL966485 0.86 ADRB2 (0.60) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL2056233 0.86 ADRB2 (0.60) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL2056236 0.86 ADRB2 (0.60) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL965548 0.85 ADRB3 (0.62) ADRB2ADRB3
SCHEMBL10115591 0.83 ADRB3 (0.51) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL2056257 0.83 ADRB2 (0.56) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL968211 0.83 ADRB2 (0.46) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL2054516 0.81 ADRB2 (0.49) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL964950 0.78 ADRB2 (0.52) ADRB2ADRB1ADRA1AADRA1DADRA1B

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 42/4885ADRA1A 91/4885

“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.