SCHEMBL4133459

SCHEMBL4133459

CCOc1cccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.44
HTR2A P28223 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
BACE1 P56817 1/20 0.40
HRH3 Q9Y5N1 6/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD4 P21917 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL4148823 0.90 HTR2A (0.41) HTR2CHTR2ACYP1A2CYP11B1CYP11B2
SCHEMBL4128005 0.87 CD274 (0.50) HTR2CHRH3TMEM97SIGMAR1ALDH1A1
SCHEMBL4142046 0.86 HRH3 (0.56) HTR2CBACE1HRH3TMEM97SIGMAR1
SCHEMBL4135775 0.85 HTR2C (0.41) HTR2CHTR2ACYP1A2CYP11B1CYP11B2
SCHEMBL4136395 0.82 HTR2C (0.54) HTR2CHTR2ACYP1A2CYP11B1CYP11B2
SCHEMBL4136458 0.81 HRH3 (0.45) CYP1A2CYP11B1CYP11B2HRH3SIGMAR1
SCHEMBL4145248 0.80 GRIN2B (0.51) CYP1A2CYP11B1CYP11B2BACE1HRH3
SCHEMBL4149102 0.80 ALOX5 (0.44) DRD3
SCHEMBL4135443 0.78 ALDH1A1 (0.47) HTR2CCYP11B2HRH3ALDH1A1DRD3
SCHEMBL4141014 0.78 ALDH1A1 (0.47) HTR2CCYP11B2HRH3ALDH1A1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 HTR2C 9/4885HTR2A 26/4885CYP1A2 1220/4885

“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.