SCHEMBL4133534

SCHEMBL4133534

COC(C)c1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP2B6 P20813 1/20 0.36
GRIN2B Q13224 2/20 0.35
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
FYN P06241 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL4142137 0.84 HRH3 (0.35) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL4135443 0.83 ALDH1A1 (0.47) HTR1DCYP11B2ALDH1A1
SCHEMBL4141014 0.83 ALDH1A1 (0.47) HTR1DCYP11B2ALDH1A1
SCHEMBL4135445 0.83 ALDH1A1 (0.47) HTR1DCYP11B2ALDH1A1
SCHEMBL4141993 0.82 HTR1D (0.38) HTR1DGRIN2BHTR1AHTR7ALDH1A1
SCHEMBL4145248 0.79 GRIN2B (0.51) HTR1DCYP1A2CYP11B1CYP11B2GRIN2B
SCHEMBL4148545 0.78 HTR1A (0.44) HTR1DCYP3A4CYP11B1CYP11B2GRIN2B
SCHEMBL4141143 0.78 OPRM1 (0.44) HTR1DGRIN2BHTR1AHTR7FAAH
SCHEMBL4132535 0.78 OPRM1 (0.44) HTR1DGRIN2BHTR1AHTR7FAAH
SCHEMBL4147479 0.78 FYN (0.44) HTR1DCYP1A2CYP11B1CYP11B2GRIN2B

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 HTR1D 25/4885CYP1A2 1220/4885CYP3A4 1672/4885

“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.