SCHEMBL5787247

SCHEMBL5787247

c1ccc2oc(C3CCN(CC4CC(c5ccc(CN6CCCC6)cc5)C4)CC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
LMNA P02545 1/20 0.43
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
OPRK1 P41145 1/20 0.41
ACHE P22303 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
SCHEMBL5787250 1.00 HRH3 (0.56) HRH3LMNAEPHX1EPHX2KCNH2
SCHEMBL27969428 0.81 BCHE (0.59) LMNAUSP2ALDH1A1TSHRNPSR1
SCHEMBL27731705 0.80 HTR2B (0.61) LMNAUSP2ALDH1A1TSHRNPSR1
SCHEMBL5787473 0.78 HRH3 (0.83) HRH3ALDH1A1
SCHEMBL5790365 0.78 HRH3 (0.83) HRH3ALDH1A1
SCHEMBL5788544 0.78 HRH3 (0.83) HRH3ALDH1A1
SCHEMBL5786625 0.77 HRH3 (0.73) HRH3LMNA
SCHEMBL5786621 0.77 HRH3 (0.73) HRH3LMNA
SCHEMBL5786988 0.76 HRH3 (0.81) HRH3ALDH1A1
SCHEMBL5786990 0.76 HRH3 (0.81) 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 1/4885LMNA 4747/4885EPHX1 471/4885

“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.