SCHEMBL3263403

SCHEMBL3263403

C[C@@H](CCCCCCCCCCNC(=N)NC(=O)c1nc(Cl)c(N)nc1N)NC[C@H](O)c1ccc(O)c(NC=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.43
ADRB1 P08588 11/20 0.43
ADRB3 P13945 8/20 0.43
CYP2D6 P10635 3/20 0.43
ADRA1A P35348 3/20 0.43
DRD2 P14416 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
DRD3 P35462 2/20 0.43
PGR P06401 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA2A P08913 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1B P35368 2/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL3263408 1.00 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP2D6ADRA1A
SCHEMBL3065104 1.00 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP2D6ADRA1A
SCHEMBL13090601 1.00 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP2D6ADRA1A
SCHEMBL14740574 1.00 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP2D6ADRA1A
SCHEMBL967513 0.94 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP2D6ADRA1A
SCHEMBL2056235 0.94 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP2D6ADRA1A
SCHEMBL14739592 0.93 ADRB2 (0.44) ADRB2ADRB1ADRB3CYP2D6ADRA1A
SCHEMBL3070170 0.93 ADRB2 (0.44) ADRB2ADRB1ADRB3CYP2D6ADRA1A
SCHEMBL12388210 0.92 ADRB2 (0.39) ADRB2ADRB1ADRB3CYP2D6ADRA1A
SCHEMBL12388208 0.92 ADRB2 (0.39) ADRB2ADRB1ADRB3CYP2D6ADRA1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130060034-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY JOHNSON MICHAEL ROSS (US) 2013-03-07 US disclosed
US-20130060034-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY JOHNSON MICHAEL ROSS (US) 2013-03-07 US disclosed
US-8324218-B2 Aliphatic pyrazinoylguanidine sodium channel blockers with beta agonist activity PARION SCIENCES, INC. (US) 2012-12-04 US disclosed
US-8324218-B2 Aliphatic pyrazinoylguanidine sodium channel blockers with beta agonist activity PARION SCIENCES, INC. (US) 2012-12-04 US disclosed
US-8324218-B2 Aliphatic pyrazinoylguanidine sodium channel blockers with beta agonist activity PARION SCIENCES, INC. (US) 2012-12-04 US disclosed
US-20100267746-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2010-10-21 US disclosed
US-20100267746-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2010-10-21 US disclosed
US-20100267746-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2010-10-21 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 (2 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-20100267746-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY ADRB1, ADRB2, ADRA2B ADRB2 2/4885ADRB1 1/4885ADRB3 5/4885
US-20130060034-A1 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY SCNN1G, SCNN1B, TRPV1 ADRB2 21/4885ADRB1 20/4885ADRB3 78/4885

“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.