SCHEMBL5033974

SCHEMBL5033974

CC(C)(C)OC(=O)NCCCN1CCC(CCCC(N)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CACNA1H O95180 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 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
SCHEMBL5031377 0.94 CACNA1H (0.47) DRD2MAOAMAOBSIGMAR1TDP1
SCHEMBL5031368 0.89 DRD2 (0.50) DRD2SIGMAR1TDP1ALDH1A1CACNA1H
SCHEMBL5031371 0.88 DRD2 (0.48) DRD2MAOAMAOBSIGMAR1TDP1
SCHEMBL24817867 0.84 SIGMAR1 (0.47) DRD2SIGMAR1TDP1CACNA1HMEN1
SCHEMBL6700 0.83 DRD2 (0.53) DRD2MAOAMAOBSIGMAR1TDP1
SCHEMBL829444 0.83 DRD2 (0.58) DRD2MAOAMAOBSIGMAR1TDP1
SCHEMBL5031510 0.83 DRD2 (0.47) DRD2SIGMAR1TDP1CACNA1H
SCHEMBL30048478 0.82 DRD2 (0.45) DRD2MAOAMAOBSIGMAR1TDP1
SCHEMBL22699069 0.82 DRD2 (0.54) DRD2SIGMAR1TDP1CACNA1HMEN1
SCHEMBL18947871 0.82 DRD2 (0.54) DRD2SIGMAR1TDP1CACNA1HMEN1

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 DRD2 1459/4885MAOA 1232/4885MAOB 475/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 DRD2 2757/4885MAOA 1201/4885MAOB 666/4885
US-20050059676-A1 Cyclic pyrazinoylguanidine sodium channel blockers HCN4, KCNH2, CACNA1B DRD2 1459/4885MAOA 1232/4885MAOB 475/4885

“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.