SCHEMBL3375950

SCHEMBL3375950

CN(CC1CC(Oc2ccc(CN3CCCC3)cc2)C1)S(=O)(=O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.44
HRH3 Q9Y5N1 5/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
RORC P51449 1/20 0.39
KCNH2 Q12809 5/20 0.38
ROCK1 Q13464 2/20 0.37
ROCK2 O75116 1/20 0.37
MCHR1 Q99705 4/20 0.37
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.36
ADRB2 P07550 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 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
SCHEMBL3377762 0.88 HRH3 (0.41) CXCR4HRH3RORCKCNH2ROCK1
SCHEMBL3377637 0.84 MEN1 (0.45) HRH3CHRNB2CHRNA4KCNH2ROCK1
SCHEMBL3376172 0.84 CXCR4 (0.51) CXCR4HRH3KCNH2MCHR1MEN1
SCHEMBL3381250 0.83 CXCR4 (0.35) CXCR4HRH3CHRNB2CHRNA4KMT2A
SCHEMBL3377371 0.81 HRH3 (0.49) CXCR4HRH3MEN1ADRB2KMT2A
SCHEMBL3376721 0.80 CXCR4 (0.45) CXCR4HRH3MEN1ADRB2KMT2A
SCHEMBL3375965 0.80 HRH3 (0.51) CXCR4HRH3MEN1ADRB2KMT2A
SCHEMBL3381198 0.80 HRH3 (0.48) CXCR4HRH3MEN1ADRB2KMT2A
SCHEMBL3376850 0.80 ALDH1A1 (0.45) HRH3CHRNB2CHRNA4KCNH2MCHR1
SCHEMBL3378906 0.79 HRH3 (0.53) CXCR4HRH3MEN1ADRB2KMT2A

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 CXCR4 397/4885HRH3 1/4885CHRNB2 375/4885

“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.