SCHEMBL5035744

SCHEMBL5035744

COC(=O)CCCC1CCN(CCCOCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.56
TEAD3 Q99594 2/20 0.53
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAOB P27338 1/20 0.47
GAA P10253 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
LTA4H P09960 2/20 0.46

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
SCHEMBL5032242 0.98 HRH3 (0.53) HRH3TEAD3LMNAKDM4EALDH1A1
SCHEMBL5029372 0.87 HRH3 (0.56) HRH3TEAD3LMNAKDM4EALDH1A1
SCHEMBL4924023 0.86 LMNA (0.59) HRH3LMNASIGMAR1OPRM1OPRD1
SCHEMBL5031358 0.85 HRH3 (0.53) HRH3TEAD3LMNAKDM4EALDH1A1
SCHEMBL5888729 0.80 HTR7 (0.63) KDM4EALDH1A1MEN1KMT2ATMEM97
SCHEMBL7281136 0.80 HTT (0.65) MEN1KMT2A
SCHEMBL4109675 0.79 LMNA (0.54) LMNAKDM4EALDH1A1LTA4H
SCHEMBL5031437 0.79 HRH3 (0.59) HRH3TEAD3TMEM97SIGMAR1LTA4H
SCHEMBL12147930 0.78 EPHX2 (0.53) LMNAKDM4EALDH1A1LTA4H
SCHEMBL20365472 0.77 MEN1 (0.53) HRH3TEAD3LMNAKDM4EALDH1A1

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 HRH3 1633/4885TEAD3 4444/4885LMNA 2076/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 HRH3 923/4885TEAD3 4198/4885LMNA 1116/4885
US-20050059676-A1 Cyclic pyrazinoylguanidine sodium channel blockers HCN4, KCNH2, CACNA1B HRH3 1633/4885TEAD3 4444/4885LMNA 2076/4885

“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.