SCHEMBL4139788

SCHEMBL4139788

CC1CCCN1C1CCc2cc(-c3ccncc3)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.39
HRH3 Q9Y5N1 6/20 0.39
CYP11B1 P15538 5/20 0.39
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 4/20 0.39
KCNH2 Q12809 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2B6 P20813 1/20 0.39
ASIC3 Q9UHC3 1/20 0.38
MCHR1 Q99705 2/20 0.36
LATS1 O95835 1/20 0.35
CYP17A1 P05093 2/20 0.35
NAMPT P43490 1/20 0.34
CYP19A1 P11511 1/20 0.34
DRD2 P14416 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4139793 1.00 CYP11B2 (0.39) CYP11B2HRH3CYP11B1CYP1A2CYP3A4
SCHEMBL4140206 0.88 HRH3 (0.40) CYP11B2HRH3CYP11B1CYP1A2CYP3A4
SCHEMBL4142343 0.88 HRH3 (0.40) CYP11B2HRH3CYP11B1CYP1A2CYP3A4
SCHEMBL4135895 0.87 CYP11B1 (0.40) CYP11B2HRH3CYP11B1CYP1A2CYP3A4
SCHEMBL4142298 0.86 HRH3 (0.39) HRH3CYP1A2CYP3A4KCNH2CYP2C9
SCHEMBL4136847 0.86 HRH3 (0.39) HRH3KCNH2DRD2
SCHEMBL4141039 0.86 HRH3 (0.45) CYP11B2HRH3CYP11B1CYP3A4KCNH2
SCHEMBL3323501 0.86 CYP11B1 (0.57) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL3324853 0.86 CYP11B1 (0.57) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL3323503 0.86 CYP11B1 (0.57) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9

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 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 CYP11B2 745/4885HRH3 1/4885CYP11B1 810/4885

“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.