SCHEMBL910550

SCHEMBL910550

CCCC(NC(=O)OC(C)(C)C)c1ccc(OCCN)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
GPR88 Q9GZN0 5/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL5015635 0.84 FAAH (0.49) FAAHSMN1; SMN2MAPK1GPR88
SCHEMBL1673330 0.81 GPR88 (0.60) FAAHSMN1; SMN2MAPK1GPR88
SCHEMBL1673331 0.81 GPR88 (0.60) FAAHSMN1; SMN2MAPK1GPR88
SCHEMBL4961187 0.79 CTSK (0.56) GPR88
SCHEMBL18406199 0.79 CTSK (0.42)
SCHEMBL1554282 0.77 GPR88 (0.65) GPR88
SCHEMBL2507657 0.77 GPR88 (0.65) GPR88
SCHEMBL30280584 0.77 CHRNA7 (0.48) FAAHSMN1; SMN2MAPK1ITGB3ITGA2B
SCHEMBL4069750 0.76 CTSK (0.46) FAAHCA1CA2CA9
SCHEMBL17619244 0.76 P2RY2 (0.45)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507497-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-08-13 US disclosed
EP-1922073-B1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2013-07-10 EP disclosed
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-08-30 US disclosed
US-8211895-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-07-03 US disclosed
US-20110003832-A1 NEW CAPPED Pyrazinoylguanidine SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2011-01-06 US disclosed
US-7807834-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-05 US disclosed
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2007-02-08 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 (3 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-20110003832-A1 NEW CAPPED Pyrazinoylguanidine SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 FAAH 1041/4885SMN1; SMN2 2910/4885MAPK1 3654/4885
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 FAAH 1041/4885SMN1; SMN2 2910/4885MAPK1 3654/4885
US-20070032509-A1 New capped pyrazinoylguanidine sodium channel blockers CACNA1B, CACNA1C, HCN4 FAAH 1041/4885SMN1; SMN2 2910/4885MAPK1 3654/4885

“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.