SCHEMBL5871918

SCHEMBL5871918

COc1ccc2c(c1C)N(C1CCN(CCc3ccc(F)cc3)CC1)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.45
HTR2C P28335 4/20 0.45
GRM2 Q14416 2/20 0.45
HTR2B P41595 2/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
DRD1 P21728 1/20 0.45
HRH1 P35367 1/20 0.45
ADRA1B P35368 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNQ1 P51787 1/20 0.45
KCNH2 Q12809 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
ABCB1 P08183 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
PABPC1 P11940 1/20 0.40
HTR7 P34969 2/20 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
Oxalic Acid SCHEMBL5872243 0.94 HTR2A (0.47) HTR2AHTR2CGRM2HTR2BDRD2
SCHEMBL5871446 0.90 HTR2A (0.52) HTR2AHTR2CGRM2HTR2BDRD2
Hydrochloric Acid SCHEMBL5871554 0.89 HTR2A (0.51) HTR2AHTR2CGRM2HTR2BDRD2
SCHEMBL5871800 0.84 HTR2A (0.53) HTR2AHTR2CGRM2HTR2BDRD2
SCHEMBL5871604 0.81 HTR2A (0.53) HTR2AHTR2CGRM2HTR2BDRD2
SCHEMBL5871766 0.79 HTR1A (0.53) HTR2CHTR2BADRA1BMEN1KMT2A
Hydrochloric Acid SCHEMBL5871695 0.78 HTR1A (0.52) HTR2CHTR2BADRA1BMEN1KMT2A
SCHEMBL5870973 0.76 HTR2A (0.39) HTR2AHTR2CADRA1BMEN1KMT2A
Hydrochloric Acid SCHEMBL5872310 0.75 HTR2A (0.39) HTR2AHTR2CADRA1BKCNH2MEN1
SCHEMBL5871402 0.73 HTR2A (0.53) HTR2AHTR2CGRM2HTR2BDRD2

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 claimed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US claimed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
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
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
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 (1 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-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2A 143/4885HTR2C 107/4885GRM2 413/4885

“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.