Sugi Predict

Sugi Predict / Compounds / SCHEMBL5790680

SCHEMBL5790680

SCHEMBL5790680

C[C@@H]1CN(C[C@H]2C[C@H](c3ccc(CN4CCCC4)cc3)C2)C[C@H](C)O1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.67
▸ HRH4 Q9H3N8 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NCF1 P14598 1/20 0.39
▸ LTA4H P09960 3/20 0.39
▸ ALDH1A1 P00352 2/20 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
SCHEMBL5788516 1.00 HRH3 (0.67) HRH3HRH4KDM4ETDP1NCF1
SCHEMBL5788519 1.00 HRH3 (0.67) HRH3HRH4KDM4ETDP1NCF1
SCHEMBL5788181 0.87 HRH3 (0.66) HRH3HRH4KDM4ENCF1ALDH1A1
SCHEMBL5788186 0.87 HRH3 (0.66) HRH3HRH4KDM4ENCF1ALDH1A1
SCHEMBL5788187 0.87 HRH3 (0.66) HRH3HRH4KDM4ENCF1ALDH1A1
SCHEMBL5788184 0.87 HRH3 (0.66) HRH3HRH4KDM4ENCF1ALDH1A1
SCHEMBL5788544 0.85 HRH3 (0.83) HRH3HRH4KDM4ENCF1ALDH1A1
SCHEMBL5787473 0.85 HRH3 (0.83) HRH3HRH4KDM4ENCF1ALDH1A1
SCHEMBL5790365 0.85 HRH3 (0.83) HRH3HRH4KDM4ENCF1ALDH1A1
SCHEMBL5786988 0.83 HRH3 (0.81) HRH3HRH4KDM4EALDH1A1

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 1/4885HRH4 2/4885KDM4E 3565/4885

“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.