SCHEMBL5872192

SCHEMBL5872192

COc1cccc(NC2CCN(CCc3ccc(F)cc3)CC2)c1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.61
DRD1 P21728 5/20 0.61
HTR2C P28335 5/20 0.61
HRH1 P35367 5/20 0.61
HTR2B P41595 5/20 0.61
ADRA1B P35368 4/20 0.61
DRD2 P14416 4/20 0.61
GRM2 Q14416 3/20 0.61
ADRA2B P18089 2/20 0.61
OPRK1 P41145 2/20 0.61
KCNH2 Q12809 2/20 0.61
TMEM97 Q5BJF2 2/20 0.61
KCNQ1 P51787 1/20 0.61
GAA P10253 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HSD17B10 Q99714 1/20 0.57
DRD3 P35462 2/20 0.53
PABPC1 P11940 1/20 0.53
DRD4 P21917 4/20 0.51
HRH2 P25021 4/20 0.51

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
SCHEMBL5871524 0.90 GAA (0.67) HTR2ADRD1HTR2CHRH1HTR2B
SCHEMBL28742041 0.79 GAA (0.58) HTR2ADRD1HTR2CHRH1HTR2B
SCHEMBL8279384 0.79 HTR2A (0.62) HTR2ADRD1HTR2CHRH1HTR2B
SCHEMBL1991377 0.79 HTR2A (0.62) HTR2ADRD1HTR2CHRH1HTR2B
SCHEMBL5871773 0.77 KCNH2 (0.62) HTR2ADRD1HTR2CHRH1HTR2B
Volinanserin SCHEMBL30543449 0.76 HTR2B (1.00) HTR2ADRD1HTR2CHRH1HTR2B
Volinanserin SCHEMBL29356737 0.76 HTR2B (1.00) HTR2ADRD1HTR2CHRH1HTR2B
SCHEMBL4078621 0.76 HTR2A (1.00) HTR2ADRD1HTR2CHRH1HTR2B
Volinanserin SCHEMBL340674 0.76 HTR2B (1.00) HTR2ADRD1HTR2CHRH1HTR2B
Volinanserin SCHEMBL4227186 0.76 HTR2B (1.00) HTR2ADRD1HTR2CHRH1HTR2B

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 209/4885DRD1 30/4885HTR2C 222/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2A 143/4885DRD1 30/4885HTR2C 107/4885

“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.