SCHEMBL967764

SCHEMBL967764

O=CNc1cc([C@@H](O)CN(CCCCc2ccc(CCCCNC(=O)OCc3ccccc3)cc2)C[C@H](O)c2ccc(OCc3ccccc3)c(NC=O)c2)ccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.45
TGM2 P21980 1/20 0.39
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HTT P42858 1/20 0.38
BACE1 P56817 3/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 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
SCHEMBL967765 1.00 ADRB2 (0.45) ADRB2TGM2ADRB1ADRB3MTNR1A
SCHEMBL967763 1.00 ADRB2 (0.45) ADRB2TGM2ADRB1ADRB3MTNR1A
SCHEMBL13090610 0.91 TGM2 (0.42) ADRB2TGM2HTTBACE1KEAP1
SCHEMBL965285 0.90 ADRB2 (0.49) ADRB2TGM2BACE1
SCHEMBL965283 0.90 ADRB2 (0.49) ADRB2TGM2BACE1
SCHEMBL965287 0.90 ADRB2 (0.49) ADRB2TGM2BACE1
SCHEMBL965049 0.89 ADRB2 (0.56) ADRB2TGM2ADRB1ADRB3
SCHEMBL965046 0.89 ADRB2 (0.56) ADRB2TGM2ADRB1ADRB3
SCHEMBL965047 0.89 ADRB2 (0.56) ADRB2TGM2ADRB1ADRB3
SCHEMBL965218 0.88 CASP1 (0.37) ADRB2TGM2MTNR1AMTNR1BHTT

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 40/4885TGM2 4237/4885ADRB1 42/4885

“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.