SCHEMBL5871210

SCHEMBL5871210

CCN1CCC(CNC(=O)Cc2ccc3c(OC(=O)C(=O)Oc4cn(C5CCN(CCc6ccc(F)cc6)CC5)c5cc(CC(=O)NCC6CCN(CC)CC6)ccc45)cn(C4CCN(CCc5ccc(F)cc5)CC4)c3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.41
KCNH2 Q12809 2/20 0.40
CACNA1I Q9P0X4 2/20 0.40
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
CNR2 P34972 2/20 0.38
CACNA1G O43497 1/20 0.38
OPRM1 P35372 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
GSK3B P49841 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
HTR4 Q13639 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
SCHEMBL5871332 0.88 RAB9A (0.39) CCR3CACNA1GOPRM1TMEM97HTR2A
SCHEMBL5871447 0.87 HTR2A (0.40) CCR3HTR1ASLC6A4CACNA1GOPRM1
SCHEMBL5871795 0.86 CYP2D6 (0.41) KCNH2CACNA1GHTR2AHTR2CHTR7
SCHEMBL5870986 0.86 HTR2A (0.39) CCR3CACNA1GHTR2AHTR2CHTR7
SCHEMBL5871510 0.84 HTR2A (0.37) CCR3KCNH2CACNA1GTMEM97HTR2A
SCHEMBL5871620 0.84 KMT2A (0.44) CNR2
SCHEMBL5871461 0.83 CACNA1G (0.40) KCNH2HTR1ASLC6A4CACNA1GOPRM1
SCHEMBL5871888 0.83 HTR2A (0.39) CCR3HTR1ASLC6A4CACNA1GHTR2A
SCHEMBL5872018 0.83 HTR1A (0.45) CCR3KCNH2CACNA1IHTR1ACNR2
SCHEMBL5871224 0.82 OPRM1 (0.41) HTR1ASLC6A4OPRM1TMEM97HTR2A

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 CCR3 1186/4885KCNH2 432/4885CACNA1I 141/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 CCR3 1686/4885KCNH2 309/4885CACNA1I 89/4885

“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.