SCHEMBL5871204

SCHEMBL5871204

Fc1ccc(-c2cccc3c2CCN3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.46
PARP11 Q9NR21 4/20 0.46
HTR7 P34969 4/20 0.41
HTR1A P08908 2/20 0.41
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
GRM2 Q14416 1/20 0.38
NOTUM Q6P988 1/20 0.37
PARP1 P09874 3/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HTR1D P28221 1/20 0.36
HTR1E P28566 1/20 0.36
HTR6 P50406 1/20 0.36
HTR3A P46098 1/20 0.36
HTR5A P47898 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL20112108 0.90 HTR7 (0.40) PARP10PARP11HTR7HTR1AGRM2
SCHEMBL4718535 0.84 PARP10 (0.64) PARP10PARP11S1PR1S1PR3NOTUM
SCHEMBL29648250 0.84 PARP10 (0.64) PARP10PARP11S1PR1S1PR3NOTUM
SCHEMBL30916119 0.81 NOTUM (0.47) PARP10PARP11S1PR1S1PR3NOTUM
SCHEMBL20539302 0.81 NOTUM (0.47) PARP10PARP11S1PR1S1PR3NOTUM
SCHEMBL31121854 0.81 PARP10 (0.47) PARP10PARP11S1PR1S1PR3NOTUM
SCHEMBL15312190 0.81 PARP10 (0.47) PARP10PARP11S1PR1S1PR3NOTUM
SCHEMBL15311783 0.77 NISCH (0.42) PARP10PARP11HTR7HTR1AS1PR1
SCHEMBL16518003 0.75 PRCP (0.57) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL29316294 0.75 PARP10 (0.41) PARP10PARP11S1PR1S1PR3NOTUM

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 9 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
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN 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
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN 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 PARP10 801/4885PARP11 626/4885HTR7 71/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 PARP10 691/4885PARP11 670/4885HTR7 57/4885

“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.