SCHEMBL5904069

SCHEMBL5904069

CN(CCCOc1ccc2c(c1)CCC(CN1CCCC1)C2)Cc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.47
HRH1 P35367 5/20 0.47
SIGMAR1 Q99720 2/20 0.44
BACE1 P56817 1/20 0.41
HTR1A P08908 1/20 0.40
LTA4H P09960 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL5904176 0.86 HRH3 (0.48) HRH3HRH1SIGMAR1BACE1HTR1A
SCHEMBL5904045 0.83 HRH3 (0.53) HRH3HRH1SIGMAR1BACE1HTR1A
SCHEMBL5904174 0.83 HRH3 (0.48) HRH3HRH1SIGMAR1BACE1HTR1A
Hydrochloric Acid SCHEMBL5904068 0.83 HRH3 (0.55) HRH3HRH1SIGMAR1BACE1HTR1A
SCHEMBL5904196 0.81 HRH3 (0.52) HRH3HRH1SIGMAR1BACE1HTR1A
SCHEMBL5904357 0.81 SIGMAR1 (0.57) HRH3HRH1SIGMAR1BACE1HTR1A
SCHEMBL5904106 0.81 HRH3 (0.51) HRH3HRH1SIGMAR1BACE1HTR1A
SCHEMBL5904150 0.80 HRH3 (0.47) HRH3HRH1SIGMAR1BACE1HTR1A
Hydrochloric Acid SCHEMBL5904107 0.80 HRH3 (0.55) HRH3HRH1SIGMAR1BACE1HTR1A
SCHEMBL5904110 0.79 HRH3 (0.56) HRH3HRH1SIGMAR1BACE1HTR1A

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
WO-2006046131-A1 TETRALIN HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-05-04 WO claimed
US-20060094719-A1 Tetralin histamine-3 receptor antagonists PFIZER INC 2006-05-04 US claimed
WO-2006046131-A1 TETRALIN HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-05-04 WO disclosed
US-20060094719-A1 Tetralin histamine-3 receptor antagonists PFIZER INC 2006-05-04 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-20060094719-A1 Tetralin histamine-3 receptor antagonists HRH3, HRH4, HRH1 HRH3 1/4885HRH1 3/4885SIGMAR1 1502/4885

“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.