SCHEMBL2054503

SCHEMBL2054503

C[C@H](N[C@@H](C)CCCc1ccc(CCCCNC(=O)OCc2ccccc2)cc1)[C@H](O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.52
LMNA P02545 2/20 0.52
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2A P28223 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
OPRK1 P41145 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL964412 1.00 ADRA1A (0.52) ADRA1ALMNAADRB2ADRB1HTR1A
SCHEMBL964414 1.00 ADRA1A (0.52) ADRA1ALMNAADRB2ADRB1HTR1A
SCHEMBL964411 1.00 ADRA1A (0.52) ADRA1ALMNAADRB2ADRB1HTR1A
SCHEMBL964413 1.00 ADRA1A (0.52) ADRA1ALMNAADRB2ADRB1HTR1A
SCHEMBL2054505 0.93 ADRA1A (0.47) ADRA1ALMNAADRB2ADRB1HTR1A
SCHEMBL964372 0.84 HTT (0.56) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL968234 0.81 ADRB2 (0.46) ADRA1ALMNAADRB2ADRB1HTR1A
SCHEMBL968232 0.81 ADRB2 (0.46) ADRA1ALMNAADRB2ADRB1HTR1A
SCHEMBL968235 0.81 ADRB2 (0.46) ADRA1ALMNAADRB2ADRB1HTR1A
SCHEMBL966186 0.81 HTT (0.55) LMNACHRNB2CHRNB4CHRNA3CHRNA4

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 2 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-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 ADRA1A 91/4885LMNA 991/4885ADRB2 40/4885

“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.