Sugi Predict

Sugi Predict / Compounds / SCHEMBL5802776

SCHEMBL5802776

SCHEMBL5802776

C[C@H](c1ccccc1)N(C)C[C@H]1C[C@H](c2ccc(CN3CCCC3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.48
▸ LTA4H P09960 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CXCR4 P61073 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CCR2 P41597 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ CHKA P35790 1/20 0.39

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
SCHEMBL5802774 1.00 HRH3 (0.48) HRH3LTA4HALDH1A1CXCR4MEN1
SCHEMBL5803209 1.00 HRH3 (0.48) HRH3LTA4HALDH1A1CXCR4MEN1
SCHEMBL5789806 0.87 HRH3 (0.45) HRH3LTA4HALDH1A1CXCR4MEN1
SCHEMBL5786203 0.87 HRH3 (0.45) HRH3LTA4HALDH1A1CXCR4MEN1
SCHEMBL5789802 0.87 HRH3 (0.45) HRH3LTA4HALDH1A1CXCR4MEN1
SCHEMBL5786207 0.87 HRH3 (0.45) HRH3LTA4HALDH1A1CXCR4MEN1
SCHEMBL5802356 0.86 HRH3 (0.46) HRH3LTA4HCXCR4MEN1KMT2A
SCHEMBL5802358 0.86 HRH3 (0.46) HRH3LTA4HCXCR4MEN1KMT2A
SCHEMBL5802352 0.86 HRH3 (0.46) HRH3LTA4HCXCR4MEN1KMT2A
SCHEMBL5803369 0.86 HRH3 (0.54) HRH3ALDH1A1MEN1KMT2AOPRM1

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 329/4885ALDH1A1 927/4885

“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.