SCHEMBL5871795

SCHEMBL5871795

O=C(Cc1ccc2c(OC(=O)C(=O)Oc3cn(C4CCN(CCc5ccc(F)cc5)CC4)c4cc(CC(=O)NCCN5CCCC5)ccc34)cn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCCN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37
CACNA1G O43497 2/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
GRM2 Q14416 1/20 0.36
PLD2 O14939 2/20 0.36
PLD1 Q13393 1/20 0.36
HTR3A P46098 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
SCHEMBL5871620 0.93 KMT2A (0.44) SMN1; SMN2TSHRKDM4EHTR3A
SCHEMBL5871332 0.91 RAB9A (0.39) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL5870986 0.89 HTR2A (0.39) HTR2AHTR2CHTR7HTR6MAPK1
SCHEMBL5871447 0.88 HTR2A (0.40) HTR2AHTR2CHTR7HTR6CACNA1G
SCHEMBL5871510 0.87 HTR2A (0.37) HTR2AHTR2CHTR7HTR6CACNA1G
SCHEMBL5871200 0.86 RAB9A (0.44) TDP1MAPK1KCNH2MCHR1
SCHEMBL5871210 0.86 CCR3 (0.41) HTR2AHTR2CHTR7HTR6CACNA1G
SCHEMBL5871888 0.85 HTR2A (0.39) HTR2AHTR2CHTR7HTR6CACNA1G
SCHEMBL5872132 0.84 KMT2A (0.43) SMN1; SMN2HTR2AALDH1A1GRM2
SCHEMBL5871224 0.83 OPRM1 (0.41) HTR2AHTR2CHTR7HTR6GRM2

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 CYP2D6 3306/4885GAA 4870/4885SMN1; SMN2 39/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 CYP2D6 2709/4885GAA 4800/4885SMN1; SMN2 81/4885

“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.