SCHEMBL964647

SCHEMBL964647

COC(=O)c1cc([C@@H](O)CNCCCCCCCCCCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.44
ADRB1 P08588 4/20 0.44
ADRB3 P13945 3/20 0.44
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
F2 P00734 1/20 0.41
F7 P08709 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
PTPN1 P18031 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
SYK P43405 1/20 0.39
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39

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
SCHEMBL1008173 0.87 ADRB2 (0.55) ADRB2ADRB1ADRB3KDM4EMAPK1
SCHEMBL1008170 0.87 ADRB2 (0.55) ADRB2ADRB1ADRB3KDM4EMAPK1
SCHEMBL1008171 0.87 ADRB2 (0.55) ADRB2ADRB1ADRB3KDM4EMAPK1
SCHEMBL2056256 0.87 CA12 (0.41) ADRB2ADRB1ADRB3PTPN1DRD2
SCHEMBL2054479 0.86 ADRB2 (0.49) ADRB2ADRB1ADRB3KDM4ETDP1
SCHEMBL966753 0.85 ADRB2 (0.46) ADRB2ADRB1ADRB3KDM4ETDP1
SCHEMBL966754 0.85 ADRB2 (0.46) ADRB2ADRB1ADRB3KDM4ETDP1
SCHEMBL11748288 0.80 ADRB2 (0.49) ADRB2ADRB1ADRB3KDM4ETDP1
SCHEMBL11919014 0.79 ADRB1 (0.49) ADRB2ADRB1ADRB3KDM4EL3MBTL1
SCHEMBL14080472 0.79 ADRB2 (0.48) ADRB2ADRB1ADRB3KDM4EF2

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 3 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-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 42/4885ADRB3 62/4885

“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.