SCHEMBL5871224

SCHEMBL5871224

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
TMEM97 Q5BJF2 2/20 0.41
HTR2A P28223 7/20 0.41
HTR2C P28335 3/20 0.41
HTR7 P34969 3/20 0.41
HTR6 P50406 2/20 0.41
GRM2 Q14416 3/20 0.40
CCR5 P51681 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
HRH2 P25021 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL5871729 0.89 HTR2A (0.39) OPRM1TMEM97HTR2AHTR2CHTR7
SCHEMBL5871447 0.84 HTR2A (0.40) OPRM1TMEM97HTR2AHTR2CHTR7
SCHEMBL5871332 0.84 RAB9A (0.39) OPRM1TMEM97HTR2AHTR2CHTR7
SCHEMBL5870986 0.83 HTR2A (0.39) HTR2AHTR2CHTR7HTR6GRM2
SCHEMBL5871888 0.83 HTR2A (0.39) HTR2AHTR2CHTR7HTR6GRM2
SCHEMBL5871795 0.83 CYP2D6 (0.41) HTR2AHTR2CHTR7HTR6GRM2
SCHEMBL5871210 0.82 CCR3 (0.41) OPRM1TMEM97HTR2AHTR2CHTR7
SCHEMBL5871461 0.82 CACNA1G (0.40) OPRM1TMEM97HTR2AHTR2CHTR7
SCHEMBL5871620 0.81 KMT2A (0.44)
SCHEMBL5871510 0.81 HTR2A (0.37) TMEM97HTR2AHTR2CHTR7HTR6

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 OPRM1 471/4885TMEM97 4722/4885HTR2A 209/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 OPRM1 340/4885TMEM97 3592/4885HTR2A 143/4885

“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.