SCHEMBL5031377

SCHEMBL5031377

CC(C)(C)OC(=O)NCCN1CCC(CCCC(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.47
DRD2 P14416 11/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
SIGMAR1 Q99720 2/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL5033974 0.94 DRD2 (0.48) CACNA1HDRD2MAOAMAOBSIGMAR1
SCHEMBL5031510 0.89 DRD2 (0.47) CACNA1HDRD2SIGMAR1JAK2JAK1
SCHEMBL5034012 0.88 CACNA1H (0.47) CACNA1HDRD2JAK2JAK1TDP1
SCHEMBL16095384 0.85 CACNA1H (0.49) CACNA1HDRD2SIGMAR1JAK2JAK1
SCHEMBL1428134 0.84 CACNA1H (0.51) CACNA1HDRD2SIGMAR1JAK2JAK1
SCHEMBL5031368 0.83 DRD2 (0.50) CACNA1HDRD2SIGMAR1TDP1
SCHEMBL14708214 0.83 CACNA1H (0.52) CACNA1HDRD2SIGMAR1JAK2JAK1
SCHEMBL24817867 0.82 SIGMAR1 (0.47) CACNA1HDRD2SIGMAR1TDP1
SCHEMBL5031371 0.81 DRD2 (0.48) CACNA1HDRD2MAOAMAOBSIGMAR1
SCHEMBL14614740 0.81 CACNA1H (0.53) CACNA1HDRD2SIGMAR1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670474-A4 CYCLIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2008-08-06 EP disclosed
US-20080103148-A1 CYCLIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-05-01 US disclosed
US-7317013-B2 Cyclic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2008-01-08 US disclosed
EP-1670474-A2 CYCLIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2006-06-21 EP disclosed
EP-1656096-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS Parion Sciences, Inc. (US) 2006-05-17 EP disclosed
US-20050090505-A1 Methods of reducing risk of infection from pathogens JOHNSON MICHAEL R (US) 2005-04-28 US disclosed
WO-2005034847-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS PARION SCIENCES, INC. (US) 2005-04-21 WO disclosed
US-20050059676-A1 Cyclic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2005-03-17 US disclosed
WO-2005016879-A2 CYCLIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2005-02-24 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 (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-20080103148-A1 CYCLIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS HCN4, KCNH2, CACNA1B CACNA1H 23/4885DRD2 1459/4885MAOA 1232/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 CACNA1H 28/4885DRD2 2757/4885MAOA 1201/4885
US-20050059676-A1 Cyclic pyrazinoylguanidine sodium channel blockers HCN4, KCNH2, CACNA1B CACNA1H 23/4885DRD2 1459/4885MAOA 1232/4885

“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.