SCHEMBL5871565

SCHEMBL5871565

CC(C)C(=O)N(CCc1ccc(F)cc1)C(=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
AOC3 Q16853 1/20 0.49
MCHR1 Q99705 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPA1 O75762 1/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL3483391 0.81 TAAR1 (0.46) TAAR1AOC3MCHR1TDP1POLB
SCHEMBL5871569 0.75 HPGD (0.54) TAAR1AOC3MCHR1TDP1POLB
SCHEMBL6303062 0.73 FFAR1 (0.50) TAAR1AOC3POLBHPGDHTT
SCHEMBL13103589 0.72 GAA (0.45) MCHR1TDP1POLBAPEX1TRPA1
SCHEMBL6411856 0.71 TAAR1 (0.60) TAAR1AOC3MCHR1TDP1POLB
SCHEMBL12575210 0.71 ROCK1 (0.48) TAAR1MCHR1TDP1POLBAPEX1
SCHEMBL14790515 0.71 TAAR1 (0.64) TAAR1AOC3MCHR1TRPA1
SCHEMBL15012163 0.71 TRPA1 (0.53) TDP1HPGDHTTKMT2ATRPA1
SCHEMBL22572492 0.70 LMNA (0.49) HPGDFFAR1
SCHEMBL3483241 0.70 TDP1 (0.46) TDP1POLBAPEX1HPGD

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 685/4885AOC3 3224/4885MCHR1 325/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 TAAR1 870/4885AOC3 3083/4885MCHR1 588/4885

“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.