SCHEMBL5871895

SCHEMBL5871895

CCCS(=O)(=O)Nc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
HTR1F P30939 1/20 0.50
MOGAT2 Q3SYC2 3/20 0.43
MCHR1 Q99705 3/20 0.40
KCNH2 Q12809 2/20 0.40
MLNR O43193 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR6 P50406 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR7 P34969 1/20 0.38

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
SCHEMBL5871028 0.94 HTR1A (0.52) HTR1AHTR1DHTR1BHTR1FMOGAT2
SCHEMBL5871259 0.90 HTR1A (0.54) HTR1AHTR1DHTR1BHTR1FMOGAT2
SCHEMBL5871343 0.86 MOGAT2 (0.53) HTR1AHTR1DHTR1BHTR1FMOGAT2
SCHEMBL5872114 0.84 HTR1A (0.53) HTR1AHTR1DHTR1BHTR1FMCHR1
SCHEMBL5871246 0.84 HTR1A (0.55) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871571 0.81 HTR1A (0.46) HTR1AHTR1DHTR1BHTR1FMOGAT2
SCHEMBL5871255 0.81 HTR1A (0.63) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871103 0.81 HTR1A (0.52) HTR1AHTR1DHTR1BHTR1FMCHR1
SCHEMBL5871190 0.80 SCD (0.52) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871265 0.80 HTR1A (0.46) HTR1AHTR1DHTR1BHTR1FMOGAT2

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 HTR1A 17/4885HTR1D 31/4885HTR1B 84/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR1A 14/4885HTR1D 27/4885HTR1B 50/4885

“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.