SCHEMBL3379174

SCHEMBL3379174

CC(=O)Nc1cccc(S(=O)(=O)N(C)CC2CC(Oc3ccc(CN4CCCC4)c(Cl)c3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
EPHX2 P34913 1/20 0.38
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
PKM P14618 2/20 0.37
HTR1A P08908 1/20 0.37
KCNH2 Q12809 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
CECR2 Q9BXF3 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRD1 P41143 2/20 0.36
GAA P10253 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL3377309 0.91 HRH3 (0.48) HRH3PKMATAD2CECR2KDM4E
SCHEMBL3376453 0.87 KCNJ6 (0.38) HRH3KEAP1NFE2L2KCNJ6KCNJ5
SCHEMBL3378015 0.86 HRH3 (0.45) HRH3EPHX2KCNH2KDM4EALDH1A1
SCHEMBL3377859 0.86 HRH3 (0.44) HRH3EPHX2HTR1AALDH1A1SMN1; SMN2
SCHEMBL3378936 0.84 HRH3 (0.48) HRH3EPHX2KCNH2KDM4EALDH1A1
SCHEMBL3376020 0.83 CACNA1B (0.42) HRH3KCNH2KDM4EALDH1A1GAA
SCHEMBL3376046 0.82 HRH3 (0.44) HRH3ALDH1A1SMN1; SMN2OPRD1
SCHEMBL3377762 0.82 HRH3 (0.41) HRH3KEAP1NFE2L2EPHX2KCNH2
SCHEMBL3377343 0.81 SOS1 (0.44) HRH3EPHX2KDM4EALDH1A1
SCHEMBL3380356 0.81 HRH3 (0.42) 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 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 1/4885KEAP1 2008/4885NFE2L2 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.