SCHEMBL6096597

SCHEMBL6096597

Cc1n[nH]c(C)c1C(C)N(C[C@H]1C[C@H](c2ccc(CN3CCCC3)cc2)C1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.42
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ILK Q13418 1/20 0.32
FPR2 P25090 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
CHKA P35790 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
LSS P48449 1/20 0.31

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
SCHEMBL6096599 1.00 HRH3 (0.42) HRH3DRD2DRD4DRD3ALDH1A1
SCHEMBL5818363 0.87 HRH3 (0.41) HRH3DRD2DRD4DRD3LSS
SCHEMBL5818357 0.87 HRH3 (0.41) HRH3DRD2DRD4DRD3LSS
SCHEMBL5803366 0.74 HRH3 (0.54) HRH3ALDH1A1LSS
SCHEMBL5803369 0.74 HRH3 (0.54) HRH3ALDH1A1LSS
SCHEMBL5786733 0.72 HRH3 (0.52) HRH3ALDH1A1
SCHEMBL5786718 0.72 HRH3 (0.52) HRH3ALDH1A1
SCHEMBL5791470 0.71 HRH3 (0.59) HRH3ALDH1A1LSS
SCHEMBL5803199 0.70 HRH3 (0.52) HRH3ALDH1A1CHKALSS
SCHEMBL5803200 0.70 HRH3 (0.52) HRH3ALDH1A1CHKALSS

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 4 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
US-7115600-B2 Histamine-3 receptor modulators PFIZER INC. (US) 2006-10-03 US 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 1/4885DRD2 107/4885DRD4 231/4885

“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.