SCHEMBL4149129

SCHEMBL4149129

COc1c(C)cc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.38
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 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 2/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
FAAH O00519 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL4142775 0.88 PDE7A (0.42) HTR1DALDH1A1FAAH
SCHEMBL4147542 0.88 SIGMAR1 (0.38) HTR1DCYP3A4
SCHEMBL4137087 0.86 HTR1D (0.41) HTR1DCYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL4140801 0.84 HRH3 (0.34) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL4135443 0.84 ALDH1A1 (0.47) HTR1DCYP11B2ALDH1A1
SCHEMBL4141014 0.84 ALDH1A1 (0.47) HTR1DCYP11B2ALDH1A1
SCHEMBL4135445 0.84 ALDH1A1 (0.47) HTR1DCYP11B2ALDH1A1
SCHEMBL4136016 0.83 HTR1D (0.41) HTR1DCYP1A2CYP3A4CYP2C9CYP11B1
SCHEMBL4133407 0.82 HTR1A (0.43) HTR1DCYP1A2CYP2C9GRIN2BHTR1A
SCHEMBL4144848 0.82 ALDH1A1 (0.39) HTR1DCYP11B2ALDH1A1

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.