SCHEMBL5871704

SCHEMBL5871704

CC(OC(=O)C(=O)OC(C)c1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)c1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.46
HTR7 P34969 4/20 0.46
KCNH2 Q12809 1/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46
HTR2C P28335 3/20 0.45
HTR6 P50406 2/20 0.43
GRM2 Q14416 2/20 0.40
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
SCD O00767 1/20 0.39

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
SCHEMBL5872034 0.89 HTR2A (0.46) HTR2AHTR7KCNH2HTR1AHTR1D
SCHEMBL5871375 0.87 HTR2A (0.53) HTR2AHTR7KCNH2HTR1AHTR1D
Oxalic Acid SCHEMBL5871700 0.86 HTR2A (0.49) HTR2AHTR7KCNH2HTR1AHTR1D
SCHEMBL6633578 0.85 HTR2A (0.46) HTR2AHTR7KCNH2HTR1AHTR1D
SCHEMBL5871726 0.84 HTR1D (0.40) HTR2AHTR7KCNH2HTR1AHTR1D
SCHEMBL5871956 0.83 HTR2A (0.56) HTR2AHTR7KCNH2HTR1AHTR1D
Oxalic Acid SCHEMBL5872026 0.83 HTR2A (0.52) HTR2AHTR7KCNH2HTR1AHTR1D
SCHEMBL7775535 0.83 HTR2A (0.47) HTR2AHTR7KCNH2HTR1AHTR1D
SCHEMBL8125811 0.82 HTR2A (0.48) HTR2AHTR7KCNH2HTR1AHTR1D
SCHEMBL5871482 0.82 HTR2A (0.48) HTR2AHTR7KCNH2HTR1AHTR1D

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 HTR2A 209/4885HTR7 71/4885KCNH2 432/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2A 143/4885HTR7 57/4885KCNH2 309/4885

“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.