SCHEMBL5871187

SCHEMBL5871187

O=[N+]([O-])c1ccc(CCN2CCC(N3CCc4ccccc43)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 9/20 0.56
KCNH2 Q12809 8/20 0.56
SIGMAR1 Q99720 2/20 0.55
HRH3 Q9Y5N1 1/20 0.54
HTR2A P28223 2/20 0.53
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL5871299 0.84 ACHE (0.54) SIGMAR1HTR2A
SCHEMBL5870969 0.83 KCNJ1 (0.59) KCNJ1KCNH2SIGMAR1HRH3HTR2A
SCHEMBL5871392 0.82 OPRM1 (0.45)
SCHEMBL5871579 0.82 OPRM1 (0.45) SIGMAR1
SCHEMBL5871489 0.82 L3MBTL1 (0.48) SIGMAR1HTR2A
SCHEMBL5871297 0.82 OPRM1 (0.45)
SCHEMBL5871127 0.82 SIGMAR1 (0.49) SIGMAR1ABCB1ABCG2
SCHEMBL5871370 0.82 OPRM1 (0.45) SIGMAR1HTR2A
SCHEMBL5871791 0.82 OPRM1 (0.45) SIGMAR1HTR2A
SCHEMBL5871000 0.82 DRD3 (0.47) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP claimed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US claimed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US claimed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP 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 (2 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-20020019531-A1 Indoles INMT, MUSK, MB KCNJ1 1556/4885KCNH2 432/4885SIGMAR1 1200/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 KCNJ1 1050/4885KCNH2 309/4885SIGMAR1 523/4885

“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.