SCHEMBL15032671

SCHEMBL15032671

CCCC1CCN(COCCC(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
GNAO1 P09471 1/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL825977 0.83 HRH3 (0.48) HRH3GNAO1MAOAMAOB
SCHEMBL25075199 0.77 HRH3 (0.35) HRH3
SCHEMBL25725586 0.75 PIK3CD (0.37) HRH3
SCHEMBL26501021 0.74 PIK3CD (0.36) HRH3
SCHEMBL13512410 0.73 PIK3CD (0.39) HRH3GNAO1MAOAMAOB
SCHEMBL13967023 0.70 GNAO1 (0.42) HRH3GNAO1
SCHEMBL25075442 0.70 HRH3 (0.39) HRH3
SCHEMBL102108 0.70 HRH3 (0.41) HRH3GNAO1MAOAMAOB
SCHEMBL27357785 0.69 HRH3 (0.55) HRH3GNAO1
SCHEMBL25075448 0.69 HRH3 (0.38) HRH3

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-20130150404-A1 BIPHENYL DERIVATIVES THERAVANCE, INC. (US) 2013-06-13 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-20130150404-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 HRH3 78/4885GNAO1 434/4885MAOA 555/4885

“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.