SCHEMBL5871585

SCHEMBL5871585

OCCOc1ccc2c(c1)CCCC2C1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.48
ADRA1B P35368 3/20 0.48
ADRA1D P25100 2/20 0.48
HRH3 Q9Y5N1 2/20 0.42
HTR2C P28335 6/20 0.42
HTR2A P28223 5/20 0.42
DRD2 P14416 4/20 0.42
HTR2B P41595 3/20 0.42
SIGMAR1 Q99720 2/20 0.42
HTR7 P34969 3/20 0.42
HTR1A P08908 2/20 0.42
HRH1 P35367 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL5871443 0.87 HTR1A (0.53) ADRA1AADRA1BADRA1DHRH3HTR2C
SCHEMBL5871394 0.85 ADRA1A (0.42) ADRA1AADRA1BADRA1DHRH3HTR2C
SCHEMBL5871398 0.84 HTR2A (0.42) ADRA1AADRA1BADRA1DHRH3HTR2C
SCHEMBL5871114 0.84 HTR2A (0.46) ADRA1AADRA1BADRA1DHTR2CHTR2A
SCHEMBL5871090 0.76 SCD (0.45) ADRA1AADRA1BADRA1DHTR2CHTR2A
SCHEMBL5871132 0.72 SIGMAR1 (0.61) HTR2CHTR2ADRD2HTR2BSIGMAR1
SCHEMBL5871484 0.72 SCD (0.45) HTR2CHTR2AHTR7HTR1AHTR1D
SCHEMBL5871136 0.69 KCNH2 (0.48) ADRA1AADRA1BHTR2CHTR2ADRD2
SCHEMBL5872075 0.66 HTR2A (0.53) HTR2CHTR2ADRD2HTR2BSIGMAR1
SCHEMBL5871488 0.66 SIGMAR1 (0.64) HRH3HTR2CHTR2ADRD2HTR2B

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 ADRA1A 213/4885ADRA1B 224/4885ADRA1D 87/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 ADRA1A 162/4885ADRA1B 165/4885ADRA1D 75/4885

“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.