SCHEMBL5871047

SCHEMBL5871047

O=C(CCCN1CCC(N2CCc3ccccc32)CC1)c1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.74
DRD2 P14416 2/20 0.62
HTR1A P08908 2/20 0.62
HTR2A P28223 2/20 0.62
HTR7 P34969 1/20 0.62
HRH1 P35367 1/20 0.62
HTR2B P41595 1/20 0.62
MEN1 O00255 1/20 0.60
CHRM2 P08172 1/20 0.60
ADRA2A P08913 1/20 0.60
DRD1 P21728 1/20 0.60
ADRA1A P35348 1/20 0.60
OPRM1 P35372 1/20 0.60
KMT2A Q03164 1/20 0.60
KCNH2 Q12809 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
HTR2C P28335 2/20 0.59
CCR3 P51677 1/20 0.59
KDM4E B2RXH2 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL5871570 0.81 CCR3 (0.55) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL5871252 0.80 HTR2A (0.58) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL14349454 0.80 OPRM1 (0.53) DRD3DRD2HTR2BMEN1CHRM2
SCHEMBL5871383 0.80 DRD3 (0.51) DRD3DRD2HTR2AKDM4E
SCHEMBL5871314 0.79 HTR5A (0.60) DRD3DRD2HTR1AHTR2AHTR7
Fluorobenzene SCHEMBL27495584 0.79 DRD3 (0.47) DRD3DRD2CHRM2ADRA1AOPRM1
SCHEMBL14282272 0.79 OPRM1 (0.52) DRD3DRD2HTR2BMEN1CHRM2
SCHEMBL5871000 0.78 DRD3 (0.47) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL904839 0.78 DRD3 (0.54) DRD3DRD2HTR1AHTR2AHTR7
SCHEMBL7647981 0.77 HTR1A (1.00) DRD3DRD2HTR1AHTR2AHTR7

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 DRD3 49/4885DRD2 51/4885HTR1A 17/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 DRD3 59/4885DRD2 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.