SCHEMBL5789326

SCHEMBL5789326

Clc1ccc(OC2CCN(C[C@H]3C[C@H](c4ccc(CN5CCCC5)cc4)C3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.59
KCNH2 Q12809 2/20 0.48
MCHR1 Q99705 1/20 0.48
HRH1 P35367 2/20 0.48
CCR3 P51677 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LSS P48449 1/20 0.47
ADRB2 P07550 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL5789325 1.00 HRH3 (0.59) HRH3KCNH2MCHR1HRH1CCR3
SCHEMBL5805424 0.90 HRH3 (0.58) HRH3MEN1KMT2AADRB2
SCHEMBL5805428 0.90 HRH3 (0.58) HRH3MEN1KMT2AADRB2
SCHEMBL5788262 0.88 HRH3 (0.56) HRH3KCNH2HRH1CCR3MAOA
SCHEMBL5788265 0.88 HRH3 (0.56) HRH3KCNH2HRH1CCR3MAOA
SCHEMBL5790654 0.83 HRH3 (0.57) HRH3KCNH2MCHR1HRH1CCR3
SCHEMBL5790659 0.83 HRH3 (0.57) HRH3KCNH2MCHR1HRH1CCR3
SCHEMBL5788544 0.82 HRH3 (0.83) HRH3KDM4EALDH1A1
SCHEMBL5787473 0.82 HRH3 (0.83) HRH3KDM4EALDH1A1
SCHEMBL5790365 0.82 HRH3 (0.83) HRH3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115600-B2 Histamine-3 receptor modulators PFIZER INC. (US) 2006-10-03 US 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 1/4885KCNH2 1142/4885MCHR1 320/4885

“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.