SCHEMBL13438166

SCHEMBL13438166

CC1CCCN(CCCOc2ccc(N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.56
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL13438116 0.87 HRH3 (0.58) HRH3ALDH1A1SMN1; SMN2
SCHEMBL13438024 0.87 HRH3 (0.58) HRH3ALDH1A1SMN1; SMN2
SCHEMBL13438145 0.87 HRH3 (0.52) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL13437979 0.87 HRH3 (0.56) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL13438204 0.83 HRH3 (0.49) HRH3ALDH1A1
SCHEMBL13438158 0.82 HRH3 (0.52) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL13438146 0.81 HRH3 (0.52) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL13438142 0.81 HRH3 (0.49) HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL13438055 0.81 KCNA5 (0.41) HRH3SMN1; SMN2
SCHEMBL13438165 0.80 HRH3 (0.51) HRH3KDM4EALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 US disclosed
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 HRH3 1/4885KDM4E 393/4885ALDH1A1 1903/4885

“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.