SCHEMBL5871332

SCHEMBL5871332

CCCCNC(=O)Cc1ccc2c(OC(=O)C(=O)Oc3cn(C4CCN(CCc5ccc(F)cc5)CC4)c4cc(CC(=O)NCCCC)ccc34)cn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
MAPK1 P28482 2/20 0.39
CACNA1G O43497 3/20 0.39
OPRM1 P35372 2/20 0.38
TMEM97 Q5BJF2 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 1/20 0.38
GRM2 Q14416 1/20 0.37
CCR3 P51677 1/20 0.37
HPGD P15428 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
SCHEMBL5871795 0.91 CYP2D6 (0.41) MAPK1CACNA1GKDM4EALDH1A1TDP1
SCHEMBL5871620 0.88 KMT2A (0.44) KDM4EHPGD
SCHEMBL5871447 0.88 HTR2A (0.40) CACNA1GOPRM1TMEM97HTR2AHTR2C
SCHEMBL5871210 0.88 CCR3 (0.41) CACNA1GOPRM1TMEM97HTR2AHTR2C
SCHEMBL5870986 0.87 HTR2A (0.39) MAPK1CACNA1GHTR2AHTR2CHTR7
SCHEMBL5871510 0.85 HTR2A (0.37) CACNA1GTMEM97HTR2AHTR2CHTR7
SCHEMBL5871200 0.85 RAB9A (0.44) RAB9AMAPK1TDP1CCR3
SCHEMBL5871461 0.85 CACNA1G (0.40) MAPK1CACNA1GOPRM1TMEM97HTR2A
SCHEMBL5871888 0.84 HTR2A (0.39) CACNA1GHTR2AHTR2CHTR7HTR6
SCHEMBL5871224 0.84 OPRM1 (0.41) OPRM1TMEM97HTR2AHTR2CHTR7

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 RAB9A 2208/4885MAPK1 1188/4885CACNA1G 163/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 RAB9A 1773/4885MAPK1 2533/4885CACNA1G 118/4885

“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.