SCHEMBL5789009

SCHEMBL5789009

Fc1cc(F)cc(COCC2CC(c3ccc(CN4CCCC4)cc3)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 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
SCHEMBL5786321 0.90 HRH3 (0.58) HRH3
SCHEMBL5791485 0.90 HRH3 (0.56) HRH3ALDH1A1SMN1; SMN2
SCHEMBL5784910 0.87 HRH3 (0.55) HRH3ALDH1A1
SCHEMBL5785958 0.86 HRH3 (0.56) HRH3ALDH1A1
SCHEMBL5787870 0.84 HRH3 (0.52) HRH3SMN1; SMN2LTA4H
SCHEMBL5785908 0.84 HRH3 (0.62) HRH3LTA4H
SCHEMBL5790050 0.84 HRH3 (0.62) HRH3LTA4H
SCHEMBL5789389 0.84 HRH3 (0.54) HRH3
SCHEMBL5785524 0.83 HRH3 (0.56) HRH3SMN1; SMN2
SCHEMBL5788733 0.83 HRH3 (0.58) HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720847-A1 HISTAMINE-3 RECEPTOR MODULATORS Pfizer Products Incorporated (US) 2006-11-15 EP claimed
US-7115600-B2 Histamine-3 receptor modulators PFIZER INC. (US) 2006-10-03 US claimed
WO-2005080361-A1 HISTAMINE-3 RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2005-09-01 WO claimed
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
EP-1720847-A1 HISTAMINE-3 RECEPTOR MODULATORS Pfizer Products Incorporated (US) 2006-11-15 EP disclosed
US-7115600-B2 Histamine-3 receptor modulators PFIZER INC. (US) 2006-10-03 US disclosed
WO-2005080361-A1 HISTAMINE-3 RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2005-09-01 WO disclosed
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 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-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 HRH3 1/4885ALDH1A1 927/4885SMN1; SMN2 1568/4885

“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.