SCHEMBL964948

SCHEMBL964948

CC(CCCc1ccc(CCCCN)cc1)NC[C@H](O)c1cccc(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.52
SLC2A1 P11166 1/20 0.48
HIF1A Q16665 4/20 0.48
ADRB1 P08588 2/20 0.48
HTR1A P08908 2/20 0.48
ADRA2A P08913 2/20 0.48
NFKB1 P19838 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
DRD3 P35462 2/20 0.48
SLC6A3 Q01959 2/20 0.48
ADRB3 P13945 1/20 0.48
TSHR P16473 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
HTR7 P34969 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL964950 1.00 ADRB2 (0.52) ADRB2SLC2A1HIF1AADRB1HTR1A
SCHEMBL8855251 0.83 ADRB2 (0.75) ADRB2SLC2A1HIF1AADRB1HTR1A
SCHEMBL11464773 0.83 ADRB2 (0.75) ADRB2SLC2A1HIF1AADRB1HTR1A
SCHEMBL11464772 0.83 ADRB2 (0.75) ADRB2SLC2A1HIF1AADRB1HTR1A
SCHEMBL10126792 0.80 ADRB2 (0.74) ADRB2HIF1AADRB1HTR1AADRA2A
SCHEMBL11472649 0.80 ADRB2 (0.62) ADRB2SLC2A1HIF1AADRB1HTR1A
SCHEMBL11472644 0.80 ADRB2 (0.62) ADRB2SLC2A1HIF1AADRB1HTR1A
SCHEMBL11472641 0.80 ADRB2 (0.62) ADRB2SLC2A1HIF1AADRB1HTR1A
SCHEMBL968232 0.79 ADRB2 (0.46) ADRB2HIF1AADRB1HTR1AADRA2A
SCHEMBL968234 0.79 ADRB2 (0.46) ADRB2HIF1AADRB1HTR1AADRA2A

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 5 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-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 40/4885SLC2A1 1720/4885HIF1A 4041/4885

“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.