SCHEMBL5871483

SCHEMBL5871483

[O-][N+]1(CCc2ccc(F)cc2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
MAOB P27338 2/20 0.40
SCN5A Q14524 1/20 0.36
AOC3 Q16853 1/20 0.35
IDO1 P14902 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MCHR1 Q99705 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL8668808 0.81 CHRNB2 (0.37) TAAR1IDO1LOXL2
SCHEMBL917006 0.81 CYP2D6 (0.42) TAAR1LOXL2SIGMAR1
SCHEMBL3683455 0.79 CYP2D6 (0.44) TAAR1LOXL2SIGMAR1
SCHEMBL9451636 0.77 KCNJ1 (0.45) MAOBLOXL2KCNJ1KCNH2MAOA
SCHEMBL9381548 0.70 TBXAS1 (0.34)
SCHEMBL7437052 0.67 TAAR1 (0.68) TAAR1MAOBAOC3IDO1LOXL2
SCHEMBL5414 0.64 TAAR1 (1.00) TAAR1MAOBAOC3LOXL2
Hydrochloric Acid SCHEMBL5812081 0.63 IDO1 (0.34) TAAR1MAOBIDO1LOXL2
SCHEMBL1983107 0.63 CHRNA7 (0.61) TAAR1IDO1LOXL2
SCHEMBL2320532 0.62 TAAR1 (0.62) TAAR1MAOBAOC3IDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TAAR1 685/4885MAOB 216/4885SCN5A 196/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 TAAR1 870/4885MAOB 333/4885SCN5A 110/4885

“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.