SCHEMBL5871763

SCHEMBL5871763

BrCCCOc1cccc2c1OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.46
HTR1A P08908 4/20 0.44
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A4 P31645 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
MCHR1 Q99705 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
AOC3 Q16853 1/20 0.35
EED O75530 1/20 0.34
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
MAOB P27338 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
SCHEMBL6597071 0.87 MTNR1A (0.59) MTNR1AHTR1ASLC6A4ADRA1A
SCHEMBL9239494 0.85 MTNR1A (0.47) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL13534270 0.84 MTNR1A (0.50) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL25335293 0.84 HTR1B (0.46) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL9236154 0.84 MTNR1A (0.48) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL9238978 0.83 MTNR1A (0.47) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL7522246 0.83 MTNR1A (0.60) MTNR1AHTR1ASLC6A4ADRA1A
Hydrochloric Acid SCHEMBL25334638 0.83 HTR1B (0.45) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL10339701 0.83 MTNR1A (0.50) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL4309152 0.82 MTNR1A (0.48) MTNR1AHTR1AKMT2ATDP1L3MBTL1

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 MTNR1A 6/4885HTR1A 17/4885KMT2A 1128/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 MTNR1A 12/4885HTR1A 14/4885KMT2A 1347/4885

“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.