SCHEMBL5871570

SCHEMBL5871570

Fc1ccc(CCCN2CCC(N3CCc4ccccc43)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.55
DRD3 P35462 3/20 0.53
HTR2A P28223 3/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR7 P34969 1/20 0.53
HRH1 P35367 1/20 0.53
HTR2B P41595 1/20 0.53
GRIN2B Q13224 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL5871252 0.96 HTR2A (0.58) CCR3DRD3HTR2AHTR1ADRD2
SCHEMBL5871000 0.93 DRD3 (0.47) CCR3DRD3HTR2AHTR1ADRD2
SCHEMBL5872151 0.85 DRD2 (0.50) DRD3HTR2ADRD2HTR2BCYP3A4
SCHEMBL14349454 0.85 OPRM1 (0.53) DRD3DRD2HTR2B
SCHEMBL5871314 0.84 HTR5A (0.60) DRD3HTR2AHTR1ADRD2HTR7
Fluorobenzene SCHEMBL27495584 0.83 DRD3 (0.47) DRD3DRD2
SCHEMBL14282272 0.83 OPRM1 (0.52) DRD3DRD2HTR2BGRIN2B
SCHEMBL904839 0.83 DRD3 (0.54) DRD3HTR2AHTR1ADRD2SLC6A4
SCHEMBL5871299 0.82 ACHE (0.54) CCR3DRD3HTR2ADRD2HTR2B
SCHEMBL5871411 0.82 OPRM1 (0.44) DRD3HTR2ADRD2HTR2B

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 CCR3 1186/4885DRD3 49/4885HTR2A 209/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 CCR3 1686/4885DRD3 59/4885HTR2A 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.