SCHEMBL6157923

SCHEMBL6157923

CCCCn1cc(C2CCN(C(=O)OCC)CC2)c2cccnc21.CCOCCn1cc(C2CCN(C(=O)OCC)CC2)c2ccncc21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 16/20 0.47
HTR2A P28223 4/20 0.45
HTR2C P28335 4/20 0.45
HTR2B P41595 4/20 0.45

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
SCHEMBL6222735 0.91 HTR2A (0.45) HRH2HTR2AHTR2CHTR2B
SCHEMBL4055816 0.88 HRH2 (0.50) HRH2HTR2AHTR2CHTR2B
SCHEMBL4051958 0.88 HRH2 (0.51) HRH2HTR2AHTR2CHTR2B
SCHEMBL4051922 0.87 HRH2 (0.46) HRH2HTR2AHTR2CHTR2B
SCHEMBL4053826 0.87 HRH2 (0.48) HRH2HTR2AHTR2CHTR2B
SCHEMBL4053376 0.81 CNR1 (0.48) HRH2HTR2AHTR2CHTR2B
SCHEMBL5750985 0.80 HRH2 (0.53) HRH2HTR2AHTR2CHTR2B
SCHEMBL4055298 0.79 HRH2 (0.66) HRH2HTR2AHTR2CHTR2B
SCHEMBL5748984 0.77 HRH2 (0.48) HRH2HTR2AHTR2CHTR2B
SCHEMBL4056351 0.77 NOS2 (0.46) HRH2HTR2AHTR2CHTR2B

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-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents LABORATORIOS ALMIRALL, S.A. (ES) 2005-08-11 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-20050176751-A1 Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents HRH2, HRH1, HRH4 HRH2 1/4885HTR2A 83/4885HTR2C 190/4885

“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.