SCHEMBL5871691

SCHEMBL5871691

CCN(CC)C(=O)n1cc(C=Cc2cccc(OC)c2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.47
TSPO P30536 2/20 0.46
NR1H3 Q13133 1/20 0.45
KMT2A Q03164 1/20 0.44
BCHE P06276 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAOB P27338 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
RELA Q04206 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
SCHEMBL5871686 1.00 NFE2L2 (0.47) NFE2L2TSPONR1H3KMT2ABCHE
SCHEMBL5871564 0.76 TSPO (0.54) TSPOKMT2A
SCHEMBL5871651 0.76 P2RX4 (0.51) TSPOKMT2ABCHEKDM4EALDH1A1
SCHEMBL11274122 0.71 NFE2L2 (0.81) NFE2L2NR1H3CYP1A1CYP1A2CYP1B1
SCHEMBL11274118 0.71 NFE2L2 (0.81) NFE2L2NR1H3CYP1A1CYP1A2CYP1B1
SCHEMBL28089618 0.70 NFE2L2 (0.61) NFE2L2NR1H3BCHECYP1A1CYP1A2
SCHEMBL9798136 0.68 NFE2L2 (0.62) NFE2L2NR1H3KMT2ABCHECYP1A1
SCHEMBL10496422 0.68 NFE2L2 (0.62) NFE2L2NR1H3KMT2ABCHECYP1A1
SCHEMBL30749687 0.68 NFE2L2 (0.62) NFE2L2NR1H3KMT2ABCHECYP1A1
SCHEMBL21062764 0.68 P2RX4 (0.54) TSPOKMT2ABCHEALDH1A1LMNA

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 NFE2L2 4496/4885TSPO 2738/4885NR1H3 4473/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 NFE2L2 3485/4885TSPO 1635/4885NR1H3 3718/4885

“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.