SCHEMBL5872013

SCHEMBL5872013

CC(=O)NCc1ccc2c(c1)N(C1CCN(CCCOc3ccc(F)cc3)CC1)CC2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.55
DRD2 P14416 3/20 0.55
HTR1A P08908 3/20 0.55
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR1F P30939 1/20 0.47
HRH1 P35367 2/20 0.44
HRH2 P25021 1/20 0.44
ADRA2A P08913 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR6 P50406 1/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CACNA1B Q00975 1/20 0.42

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
SCHEMBL5871355 0.89 HTR1A (0.49) HTR2ADRD2HTR1AHTR1DHTR1B
SCHEMBL5871577 0.89 HTR1A (0.48) HTR2ADRD2HTR1AHTR1DHTR1B
SCHEMBL5871353 0.87 HTR1A (0.51) HTR2AHTR1AHTR1DHTR1BHTR1F
SCHEMBL5871268 0.83 HTR1A (0.45) HTR2ADRD2HTR1AHTR1DHTR1B
SCHEMBL5871468 0.82 SIGMAR1 (0.44) HTR2AHTR1AHTR2CLMNATP53
Fluorobenzene SCHEMBL27475881 0.81 HTR1A (0.46) HTR1AHTR1DHTR1BHTR1FKCNH2
SCHEMBL5871542 0.81 CACNA1G (0.45) HTR2AHTR1AHTR1DHTR1BHTR1F
SCHEMBL4076979 0.81 CACNA1G (0.42) HTR2ADRD2HTR1AHTR1DHTR1B
SCHEMBL4076983 0.81 CACNA1G (0.42) HTR2ADRD2HTR1AHTR1DHTR1B
SCHEMBL5872003 0.80 HTR1A (0.44) HTR1AHTR1DHTR1BHTR1FLMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US claimed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 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
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 209/4885DRD2 51/4885HTR1A 17/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2A 143/4885DRD2 54/4885HTR1A 14/4885

“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.