SCHEMBL4131537

SCHEMBL4131537

c1ncc(-c2ccc3c(c2)CCC(N2CCCCC2)C3)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.43
CYP11B2 P19099 6/20 0.43
CYP1A2 P05177 4/20 0.43
HTR1D P28221 2/20 0.41
HRH3 Q9Y5N1 3/20 0.41
KCNH2 Q12809 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
GRIN2B Q13224 1/20 0.38
FYN P06241 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
DRD2 P14416 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL4149019 0.87 IRAK4 (0.48) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL4127534 0.86 CYP11B2 (0.46) CYP11B1CYP11B2CYP1A2HRH3CYP3A4
SCHEMBL4144375 0.85 CYP11B2 (0.63) CYP11B1CYP11B2CYP1A2HRH3CYP3A4
SCHEMBL4147560 0.84 CYP11B1 (0.40) CYP11B1CYP11B2CYP1A2HRH3KCNH2
SCHEMBL4143276 0.84 CYP11B2 (0.42) CYP11B1CYP11B2CYP1A2HTR1DHRH3
SCHEMBL4129139 0.82 CYP11B2 (0.63) CYP11B1CYP11B2CYP1A2HRH3CYP3A4
SCHEMBL4145248 0.81 GRIN2B (0.51) CYP11B1CYP11B2CYP1A2HTR1DHRH3
SCHEMBL4135895 0.80 CYP11B1 (0.40) CYP11B1CYP11B2CYP1A2HRH3KCNH2
SCHEMBL4148545 0.80 HTR1A (0.44) CYP11B1CYP11B2HTR1DHRH3CYP3A4
SCHEMBL4141143 0.80 OPRM1 (0.44) HTR1DHRH3GRIN2BFYNHTR1A

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 CYP11B1 810/4885CYP11B2 745/4885CYP1A2 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.