SCHEMBL5871114

SCHEMBL5871114

Oc1ccc2c(c1)CCCC2C1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.46
HTR2C P28335 4/20 0.46
SIGMAR1 Q99720 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2B P41595 1/20 0.46
HTR7 P34969 3/20 0.45
HTR6 P50406 2/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
GRM2 Q14416 2/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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 0.84 HTR1A (0.53) HTR2AHTR2CSIGMAR1DRD2HTR2B
SCHEMBL5871585 0.84 ADRA1A (0.48) HTR2AHTR2CSIGMAR1DRD2HTR2B
SCHEMBL5871132 0.77 SIGMAR1 (0.61) HTR2AHTR2CSIGMAR1DRD2HTR2B
SCHEMBL5871394 0.76 ADRA1A (0.42) HTR2AHTR2CSIGMAR1DRD2HTR2B
SCHEMBL5871398 0.75 HTR2A (0.42) HTR2AHTR2CSIGMAR1DRD2HTR2B
SCHEMBL5871307 0.71 HTR1A (0.47) HTR2AHTR2CHTR7HTR6
SCHEMBL5872311 0.70 ESR1 (0.42) HTR2AHTR2CDRD2HTR2BHTR7
SCHEMBL1457116 0.68 HTR2A (0.64) HTR2AHTR2CHTR7HTR6
SCHEMBL22015072 0.68 GRIN2B (0.80) HTR2ASIGMAR1DRD2HTR2BHTR7
Bromide SCHEMBL9522890 0.68 ESR1 (0.54) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 222/4885SIGMAR1 1200/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2A 143/4885HTR2C 107/4885SIGMAR1 523/4885

“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.