SCHEMBL5904076

SCHEMBL5904076

c1ccc(NCCCOc2ccc3c(c2)CCC(CN2CCCC2)C3)nc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.50
ITGAV P06756 7/20 0.50
ITGA2B P08514 4/20 0.50
ITGB1 P05556 1/20 0.50
ITGB5 P18084 1/20 0.50
HRH3 Q9Y5N1 7/20 0.49
HRH1 P35367 3/20 0.49
SIGMAR1 Q99720 2/20 0.48
BACE1 P56817 1/20 0.45
HTR1A P08908 2/20 0.44
CYP2D6 P10635 1/20 0.41

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
SCHEMBL5904218 0.85 HRH3 (0.48) HRH3HRH1SIGMAR1BACE1HTR1A
SCHEMBL5904186 0.84 HRH3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6833670 0.82 ITGB3 (0.67) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL5904098 0.81 HRH3 (0.55) HRH3HRH1SIGMAR1BACE1HTR1A
SCHEMBL5904094 0.81 SIGMAR1 (0.55) HRH3HRH1SIGMAR1BACE1HTR1A
SCHEMBL5904075 0.80 HRH3 (0.60) HRH3HRH1SIGMAR1BACE1
SCHEMBL5904276 0.80 HTR1A (0.61) HRH3HRH1SIGMAR1HTR1A
SCHEMBL5904189 0.79 HRH3 (0.61) HRH3HRH1SIGMAR1BACE1HTR1A
SCHEMBL5904233 0.79 HRH3 (0.65) HRH3HRH1BACE1
SCHEMBL5904191 0.79 HRH3 (0.62) HRH3HRH1BACE1

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 ITGB3 1564/4885ITGAV 2644/4885ITGA2B 3360/4885

“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.