SCHEMBL3377130

SCHEMBL3377130

CC(C)CC(=O)N(C)CC1CC(Oc2ccc(CN3CCCC3C)c(Cl)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
MLNR O43193 2/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
EPHX2 P34913 1/20 0.34
HRH1 P35367 3/20 0.33
CCR3 P51677 3/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2A P28223 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3377127 1.00 HRH3 (0.40) HRH3MLNRGPBAR1BMPR1BBMPR1A
SCHEMBL3377393 0.87 HRH3 (0.54) HRH3MLNRHRH1CCR3KMT2A
SCHEMBL3376109 0.85 HRH3 (0.40) HRH3GPBAR1EPHX2HRH1CCR3
SCHEMBL3379954 0.85 HRH3 (0.40) HRH3GPBAR1EPHX2HRH1CCR3
SCHEMBL3379539 0.80 BMPR1B (0.40) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3380901 0.80 HRH3 (0.36) HRH3MLNRGPBAR1BMPR1BBMPR1A
SCHEMBL3379542 0.79 TSHR (0.37) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3377707 0.79 HRH3 (0.55) HRH3MLNRACVR1HRH1CCR3
SCHEMBL3380217 0.78 HRH3 (0.52) HRH3MLNRACVR1HRH1CCR3
SCHEMBL3377148 0.77 HRH3 (0.55) HRH3MLNREPHX2HRH1CCR3

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 1/4885MLNR 208/4885GPBAR1 84/4885

“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.