SCHEMBL5031437

SCHEMBL5031437

NCCCCC1CCN(CCCOCc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.59
SIGMAR1 Q99720 3/20 0.52
TMEM97 Q5BJF2 1/20 0.52
PRMT3 O60678 1/20 0.51
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
PRMT1 Q99873 1/20 0.51
PRMT8 Q9NR22 1/20 0.51
TEAD3 Q99594 1/20 0.50
CHRM1 P11229 1/20 0.50
LTA4H P09960 1/20 0.49

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
SCHEMBL5033969 0.97 HRH3 (0.56) HRH3SIGMAR1TMEM97PRMT3CARM1
SCHEMBL5029372 0.84 HRH3 (0.56) HRH3SIGMAR1TMEM97TEAD3LTA4H
SCHEMBL5031358 0.81 HRH3 (0.53) HRH3SIGMAR1TMEM97TEAD3LTA4H
SCHEMBL6942319 0.81 TEAD3 (0.56) HRH3SIGMAR1TMEM97TEAD3LTA4H
SCHEMBL7272428 0.79 CCR3 (0.61) SIGMAR1PRMT3CARM1PRMT6PRMT1
SCHEMBL6855553 0.79 TEAD3 (0.58) HRH3SIGMAR1TMEM97TEAD3LTA4H
SCHEMBL5035744 0.79 HRH3 (0.56) HRH3SIGMAR1TMEM97TEAD3LTA4H
SCHEMBL22440218 0.77 LTA4H (0.77) HRH3SIGMAR1TEAD3LTA4H
SCHEMBL8109363 0.77 LTA4H (0.55) HRH3SIGMAR1TMEM97TEAD3LTA4H
SCHEMBL6947336 0.77 LTA4H (0.55) HRH3SIGMAR1TMEM97TEAD3LTA4H

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 1633/4885SIGMAR1 1727/4885TMEM97 990/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 HRH3 923/4885SIGMAR1 2043/4885TMEM97 1976/4885
US-20050059676-A1 Cyclic pyrazinoylguanidine sodium channel blockers HCN4, KCNH2, CACNA1B HRH3 1633/4885SIGMAR1 1727/4885TMEM97 990/4885

“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.