SCHEMBL5871564

SCHEMBL5871564

CCN(CC)C(=O)n1cc(CCc2cccc(OC)c2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.54
PLA2G4A P47712 2/20 0.50
ABCB1 P08183 4/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.44
CNR2 P34972 1/20 0.44
HTR6 P50406 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL3407160 0.76 PLA2G4A (0.46) TSPOPLA2G4AKMT2AHTR6MTNR1A
SCHEMBL5871691 0.76 NFE2L2 (0.47) TSPOKMT2A
SCHEMBL5871686 0.76 NFE2L2 (0.47) TSPOKMT2A
SCHEMBL25779040 0.76 HTR6 (0.53) HTR6
SCHEMBL25779039 0.75 HTR6 (0.68) HTR6MTNR1A
SCHEMBL25627131 0.75 HTR6 (0.56) KMT2AHTR6MTNR1A
SCHEMBL1180037 0.69 AOC3 (0.56) TSPOMTNR1AMTNR1B
SCHEMBL13131367 0.69 MAPT (0.57) TP53KMT2ACNR2HTR6MTNR1A
SCHEMBL30788389 0.69 P2RX4 (0.54) TSPOTP53KMT2A
SCHEMBL21062764 0.69 P2RX4 (0.54) TSPOTP53KMT2A

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 TSPO 2738/4885PLA2G4A 2679/4885ABCB1 3426/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 TSPO 1635/4885PLA2G4A 2783/4885ABCB1 3078/4885

“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.