SCHEMBL5871992

SCHEMBL5871992

Fc1ccc(OCCCN2CCC(N3CCc4ccc(Br)cc43)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
HTR1A P08908 4/20 0.47
HTR2A P28223 4/20 0.47
DRD3 P35462 4/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
HTR5A P47898 1/20 0.47
HRH1 P35367 2/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.44

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
SCHEMBL5871314 0.85 HTR5A (0.60) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL5871506 0.83 HTR1A (0.45) HTR1AHTR2AHTR7
SCHEMBL5871296 0.80 HTR2A (0.47) DRD2HTR1AHTR2AKCNH2
SCHEMBL5872013 0.80 HTR2A (0.55) DRD2HTR1AHTR2AHRH1KCNH2
SCHEMBL3573745 0.77 HRH3 (0.60) HRH3
SCHEMBL5871090 0.77 SCD (0.45) DRD2HTR1AHTR2AHTR7KCNH2
SCHEMBL5871400 0.77 MCHR1 (0.40) DRD2HTR1AHTR2AKCNH2
SCHEMBL5871990 0.76 SCD (0.43) HTR1A
SCHEMBL4073208 0.74 HTR1A (0.55) HTR1AHTR2BMEN1KMT2AHRH3
SCHEMBL5871190 0.73 SCD (0.52) HTR1AHTR2AHTR7HTR2B

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 DRD2 51/4885HTR1A 17/4885HTR2A 209/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 DRD2 54/4885HTR1A 14/4885HTR2A 143/4885

“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.