SCHEMBL4152777

SCHEMBL4152777

COc1ccc(-c2ccc3c(c2)CCC(N2CCN(C(C)C)CC2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MTNR1B P49286 6/20 0.41
MTNR1A P48039 4/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM4 P08173 2/20 0.39
CHRM3 P20309 2/20 0.39
HTR1B P28222 1/20 0.39
SLC6A9 P48067 1/20 0.39
KCNH2 Q12809 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CYP11B2 P19099 1/20 0.37
MAPT P10636 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL4135443 0.87 ALDH1A1 (0.47) ALDH1A1HRH3CYP11B2
SCHEMBL4141014 0.87 ALDH1A1 (0.47) ALDH1A1HRH3CYP11B2
SCHEMBL4135445 0.87 ALDH1A1 (0.47) ALDH1A1HRH3CYP11B2
SCHEMBL4139699 0.84 PIK3CA (0.41) HRH3HTR1BSLC6A9KCNH2CYP11B2
SCHEMBL4145001 0.82 CHRM2 (0.44) CHRM2CHRM1
SCHEMBL4147560 0.81 CYP11B1 (0.40) HRH3HTR1BSLC6A9KCNH2CYP11B2
SCHEMBL4143483 0.81 FAAH (0.39) HRH3KCNH2
SCHEMBL4136797 0.80 TP53 (0.40) ALDH1A1HRH3CHRM2CHRM1HTR1B
SCHEMBL4127181 0.80 ALDH1A1 (0.41) ALDH1A1MTNR1BCYP11B2
SCHEMBL4135983 0.80 ALDH1A1 (0.40) ALDH1A1MTNR1BHRH3CYP11B2

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 2 patents. 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
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US 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 (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 ALDH1A1 1667/4885MTNR1B 51/4885MTNR1A 56/4885

“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.