SCHEMBL966047

SCHEMBL966047

CC(CCCc1ccc(CCCCNC(=O)OCc2ccccc2)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.51
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
HTT P42858 1/20 0.48
FOLH1 Q04609 4/20 0.48
TPSAB1 Q15661 3/20 0.47
TPSD1 Q9BZJ3 3/20 0.47
TPSG1 Q9NRR2 3/20 0.47
PLG P00747 1/20 0.47
ELANE P08246 1/20 0.47
TGM2 P21980 1/20 0.47
DPP8 Q6V1X1 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL964372 0.82 HTT (0.56) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL966830 0.82 TDP1 (0.60) ASAH1HTTTPSAB1TPSD1TPSG1
SCHEMBL966186 0.82 HTT (0.55) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL16804701 0.80 HTT (0.62) HTTTGM2KEAP1NFE2L2ALDH1A1
SCHEMBL26667478 0.78 FOLH1 (0.63) HTTFOLH1TPSAB1TPSD1TPSG1
SCHEMBL26667474 0.78 FOLH1 (0.63) HTTFOLH1TPSAB1TPSD1TPSG1
SCHEMBL17261334 0.78 TDP1 (0.64) ASAH1ALDH1A1LMNA
SCHEMBL15834383 0.78 HTT (0.53) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL16804706 0.78 HTT (0.62) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL917677 0.77 HTT (0.65) HTTTGM2KEAP1NFE2L2LMNA

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-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 US disclosed
EP-2035004-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY Parion Sciences, Inc. (US) 2009-03-18 EP disclosed
WO-2007146869-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2007-12-21 WO 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 ASAH1 944/4885CHRNB2 133/4885CHRNB4 137/4885

“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.