SCHEMBL5802540

SCHEMBL5802540

CN(C[C@H]1C[C@H](c2ccc(CN3CCCC3)cc2)C1)[C@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
LTA4H P09960 1/20 0.44
CHRM4 P08173 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CNR2 P34972 1/20 0.41
CCR3 P51677 1/20 0.41
CXCR4 P61073 1/20 0.41
KCNH2 Q12809 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
SCHEMBL5802543 1.00 HRH3 (0.47) HRH3LTA4HCHRM4MEN1KMT2A
SCHEMBL6095321 1.00 HRH3 (0.47) HRH3LTA4HCHRM4MEN1KMT2A
SCHEMBL5805939 0.87 HRH3 (0.45) HRH3LTA4HMEN1KMT2AACHE
SCHEMBL5805940 0.87 HRH3 (0.45) HRH3LTA4HMEN1KMT2AACHE
SCHEMBL5805936 0.87 HRH3 (0.45) HRH3LTA4HMEN1KMT2AACHE
SCHEMBL5805344 0.84 HRH3 (0.50) HRH3MEN1KMT2AACHEALDH1A1
SCHEMBL5805347 0.84 HRH3 (0.50) HRH3MEN1KMT2AACHEALDH1A1
SCHEMBL5787700 0.84 HRH3 (0.60) HRH3MEN1KMT2AALDH1A1
SCHEMBL5787699 0.84 HRH3 (0.60) HRH3MEN1KMT2AALDH1A1
SCHEMBL5787231 0.81 HRH3 (0.61) HRH3LTA4HALDH1A1CXCR4

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 1/4885LTA4H 329/4885CHRM4 157/4885

“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.