SCHEMBL2054488

SCHEMBL2054488

COOSN(Cc1ccccc1)c1cc([C@@H](O)CN(CCCCc2ccc(CCCCNC(=O)OCc3ccccc3)cc2)C[C@H](O)c2ccc(OCc3ccccc3)c(N(Cc3ccccc3)S(C)(=O)=O)c2)ccc1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.35
PTPN2 P17706 2/20 0.35
PTPN6 P29350 2/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
PTPRF P10586 1/20 0.34
PTPN11 Q06124 1/20 0.34
BACE1 P56817 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAF1 P04049 1/20 0.33
MAP2K1 Q02750 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL965213 0.92 MTNR1A (0.38) PTPN1PTPN2PTPN6MTNR1AMTNR1B
SCHEMBL965212 0.92 MTNR1A (0.38) PTPN1PTPN2PTPN6MTNR1AMTNR1B
SCHEMBL965202 0.83 ADRB2 (0.41) PTPN1PTPN2PTPN6MTNR1AMTNR1B
SCHEMBL965203 0.83 ADRB2 (0.41) PTPN1PTPN2PTPN6MTNR1AMTNR1B
SCHEMBL2054498 0.78 MTNR1A (0.42) MTNR1AMTNR1BL3MBTL1ALDH1A1
SCHEMBL2100994 0.77 ADRB2 (0.42) MTNR1AMTNR1B
SCHEMBL2100995 0.77 ADRB2 (0.42) MTNR1AMTNR1B
SCHEMBL2054497 0.77 ADRB2 (0.42) MTNR1AMTNR1B
SCHEMBL963818 0.76 ADRB2 (0.43) PTPN1PTPN2PTPN6MTNR1AMTNR1B
SCHEMBL965218 0.76 CASP1 (0.37) MTNR1AMTNR1BBACE1ALDH1A1MMP2

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 PTPN1 1867/4885PTPN2 1478/4885PTPN6 2059/4885

“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.