SCHEMBL5871243

SCHEMBL5871243

Fc1ccc(CC(F)N2CCC(N3CCc4ccc(Cl)nc43)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
SCD O00767 5/20 0.34
CYP19A1 P11511 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP2D6 P10635 2/20 0.33
HRH1 P35367 2/20 0.33
TP53 P04637 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR1F P30939 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL5871727 0.81 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL5871794 0.77 OPRM1 (0.46) HTR2CHTR2BSCDHTR1AHTR1D
SCHEMBL5871303 0.75 SCD (0.42) HTR2AHTR2CHTR2BSCDCYP2D6
SCHEMBL5871167 0.75 SCD (0.42) HTR2CHTR2BSCDHTR1AHTR1D
SCHEMBL5871065 0.71 HTR1A (0.45) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL5871235 0.71 HTR2A (0.48) HTR2AHTR2CKCNH2
SCHEMBL5871930 0.70 HTR1A (0.50) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL5871769 0.70 HTR2C (0.58) HTR2AHTR2CHTR2BTP53KCNH2
SCHEMBL5871593 0.69 HTR1A (0.59) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL5871276 0.69 HTR1A (0.47) SCDHTR1AHTR1DHTR1BHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-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 209/4885HTR2C 222/4885HTR2B 91/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2A 143/4885HTR2C 107/4885HTR2B 45/4885

“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.