SCHEMBL965225

SCHEMBL965225

O=C(NCCCCc1ccc(CCCCN(C[C@H](O)c2ccc(OCc3ccccc3)c(NS(=O)(=O)CCc3ccccc3)c2)C[C@H](O)c2ccc(OCc3ccccc3)c(NS(=O)(=O)CCc3ccccc3)c2)cc1)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
HTT P42858 1/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
TGM2 P21980 1/20 0.36
ANPEP P15144 1/20 0.36
ADRB2 P07550 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FOLH1 Q04609 1/20 0.34
ADAM10 O14672 1/20 0.34
MMP14 P50281 1/20 0.34
ADAM17 P78536 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL965218 1.00 CASP1 (0.37) CASP1MTNR1AMTNR1BHTTMMP2
SCHEMBL967765 0.88 ADRB2 (0.45) MTNR1AMTNR1BHTTTGM2ADRB2
SCHEMBL965205 0.88 ADRB2 (0.45) ADRB2KMT2AKDM4E
SCHEMBL967763 0.88 ADRB2 (0.45) MTNR1AMTNR1BHTTTGM2ADRB2
SCHEMBL965206 0.88 ADRB2 (0.45) ADRB2KMT2AKDM4E
SCHEMBL967764 0.88 ADRB2 (0.45) MTNR1AMTNR1BHTTTGM2ADRB2
SCHEMBL2100995 0.84 ADRB2 (0.42) MTNR1AMTNR1BHTTTGM2ADRB2
SCHEMBL2100994 0.84 ADRB2 (0.42) MTNR1AMTNR1BHTTTGM2ADRB2
SCHEMBL2054497 0.84 ADRB2 (0.42) MTNR1AMTNR1BHTTTGM2ADRB2
SCHEMBL2054498 0.83 MTNR1A (0.42) MTNR1AMTNR1BHTTTGM2KDM4E

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 CASP1 2892/4885MTNR1A 1067/4885MTNR1B 361/4885

“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.