SCHEMBL6320494

SCHEMBL6320494

CCCc1cc(CN(C)C[C@H]2C[C@H](c3ccc(N4CCCC4)cc3C)C2)n[nH]1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
GAA P10253 2/20 0.31
RAD52 P43351 1/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PARP1 P09874 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
SCHEMBL6320500 1.00 HTR1A (0.32) HTR1AADRA2ACHRM1DRD1SLC6A4
SCHEMBL5822840 0.76 HRH3 (0.41) PARP1
SCHEMBL6095990 0.76 HRH3 (0.41) PARP1
SCHEMBL6330742 0.75 HPGD (0.39) GAARAD52MAPTMAPK1HTT
SCHEMBL6324367 0.75 HPGD (0.35) GAARAD52MAPTMAPK1SMN1; SMN2
SCHEMBL6329235 0.70 GAA (0.49) HTR1AADRA2AADRA1ADRD3KCNH2
SCHEMBL6329232 0.70 GAA (0.49) HTR1AADRA2AADRA1ADRD3KCNH2
SCHEMBL6329264 0.69 SIGMAR1 (0.41) MAPTMAPK1
SCHEMBL6329260 0.69 SIGMAR1 (0.41) MAPTMAPK1
SCHEMBL6324495 0.68 MEN1 (0.34) HTR1ADRD1GAARAD52MAPT

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-20050171181-A1 3-Benzyloxymethyl-1-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanol for example; treating allergies and mood disorders; use in combination with a histamine H1 antagonist or a neurotransmitter re-uptake blocker PFIZER INC 2005-08-04 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-20050171181-A1 3-Benzyloxymethyl-1-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanol for example; treating allergies and mood disorders; use in combination with a histamine H1 antagonist or a neurotransmitter re-uptake blocker HRH3, HRH4, HRH1 HTR1A 16/4885ADRA2A 27/4885CHRM1 68/4885

“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.