SCHEMBL3377309

SCHEMBL3377309

CC(=O)Nc1ccc(S(=O)(=O)N(C)CC2CC(Oc3ccc(CN4CCCC4)c(Cl)c3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
NAMPT P43490 1/20 0.39
POLB P06746 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
CECR2 Q9BXF3 1/20 0.38

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
SCHEMBL3379174 0.91 HRH3 (0.44) HRH3KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL3378936 0.89 HRH3 (0.48) HRH3KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL3376046 0.87 HRH3 (0.44) HRH3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3378015 0.86 HRH3 (0.45) HRH3KDM4EALDH1A1POLB
SCHEMBL3376233 0.85 HRH3 (0.42) HRH3KDM4EALDH1A1GAAPOLB
SCHEMBL3378341 0.84 MEN1 (0.44) HRH3KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL3377343 0.83 SOS1 (0.44) HRH3KDM4EALDH1A1POLB
SCHEMBL3380356 0.83 HRH3 (0.42) HRH3ALDH1A1L3MBTL1
SCHEMBL3375063 0.82 HRH3 (0.70) HRH3KDM4EALDH1A1POLB
SCHEMBL3377335 0.82 HRH3 (0.48) HRH3KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US claimed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US claimed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP claimed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO claimed
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP disclosed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US disclosed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US disclosed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO 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-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS HRH3, HRH4, HRH2 HRH3 1/4885KDM4E 3381/4885ALDH1A1 923/4885

“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.