SCHEMBL3376331

SCHEMBL3376331

Cc1ccc(C(=O)N(C)CC2CC(Oc3ccc(CN4CCCC4)c(Cl)c3)C2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
PLA2G1B P04054 1/20 0.43
POLB P06746 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HRH1 P35367 2/20 0.38
CCR3 P51677 2/20 0.38
KCNH2 Q12809 2/20 0.38
ADRB2 P07550 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MCHR1 Q99705 1/20 0.36
MLNR O43193 2/20 0.35

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
SCHEMBL3377473 0.91 HRH3 (0.53) HRH3PLA2G1BPOLBATG4BKMT2A
SCHEMBL3376749 0.90 HRH3 (0.54) HRH3PLA2G1BPOLBATG4BKMT2A
SCHEMBL3377337 0.89 HRH3 (0.51) HRH3PLA2G1BPOLBATG4BKMT2A
SCHEMBL3375319 0.89 HRH3 (0.52) HRH3PLA2G1BPOLBATG4BHRH1
SCHEMBL3375240 0.88 HRH3 (0.54) HRH3KMT2AHRH1CCR3KCNH2
SCHEMBL3376261 0.88 HRH3 (0.52) HRH3POLBKMT2AMEN1HRH1
SCHEMBL3380325 0.87 HRH3 (0.49) HRH3PLA2G1BPOLBATG4BKMT2A
SCHEMBL3377504 0.87 HRH3 (0.51) HRH3PLA2G1BPOLBATG4BKMT2A
SCHEMBL3377750 0.87 HRH3 (0.51) HRH3PLA2G1BPOLBATG4BKMT2A
SCHEMBL3380151 0.87 HRH3 (0.52) HRH3PLA2G1BPOLBATG4BHRH1

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 1/4885PLA2G1B 2228/4885POLB 1820/4885

“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.