SCHEMBL5871569

SCHEMBL5871569

CCCC(=O)N(CCc1ccc(F)cc1)C(=O)CCC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
TAAR1 Q96RJ0 1/20 0.50
AOC3 Q16853 1/20 0.47
OPRM1 P35372 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
FFAR1 O14842 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL6957846 0.75 HPGD (0.60) HPGDTDP1POLBAPEX1SLC5A1
SCHEMBL5871565 0.75 TAAR1 (0.52) HPGDTDP1POLBAPEX1TAAR1
SCHEMBL3125931 0.74 POLB (0.58) HPGDTDP1POLBAPEX1HTR7
Butyric Acid SCHEMBL30807147 0.72 FFAR1 (0.65) HPGDL3MBTL1ALDH1A1LMNAFFAR1
Bicarbonate SCHEMBL3434734 0.72 TDP1 (0.58) HPGDTDP1POLBAPEX1TAAR1
SCHEMBL3122935 0.72 POLB (0.55) HPGDTDP1POLBAPEX1MEN1
SCHEMBL7813644 0.72 MEN1 (0.50) HPGDTDP1POLBAPEX1MEN1
SCHEMBL4425976 0.72 TAAR1 (0.52) HPGDTDP1POLBAPEX1TAAR1
SCHEMBL6411856 0.70 TAAR1 (0.60) HPGDTDP1POLBAPEX1TAAR1
SCHEMBL28746503 0.70 FOLH1 (0.49) HPGDTDP1POLBAPEX1MEN1

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 HPGD 2640/4885TDP1 353/4885POLB 3419/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HPGD 2890/4885TDP1 482/4885POLB 2860/4885

“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.