SCHEMBL3376237

SCHEMBL3376237

CN(CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)C(=O)Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
CXCR4 P61073 1/20 0.39
ROCK1 Q13464 2/20 0.39
ROCK2 O75116 1/20 0.39
KCNH2 Q12809 4/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
HRH1 P35367 4/20 0.38
CCR3 P51677 4/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 1/20 0.36
S1PR1 P21453 1/20 0.36
PRKX P51817 1/20 0.36
ACVR1 Q04771 1/20 0.36
S1PR5 Q9H228 1/20 0.36
ACHE P22303 1/20 0.36
HTR4 Q13639 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
SCHEMBL3376808 0.90 HRH3 (0.51) HRH3ROCK1ROCK2KCNH2OPRM1
SCHEMBL2107998 0.89 CHRNB2 (0.45) HRH3ROCK1ROCK2KCNH2CHRNB2
SCHEMBL3379412 0.87 HRH3 (0.49) HRH3KCNH2OPRM1OPRK1HRH1
SCHEMBL3378210 0.86 HRH3 (0.49) HRH3KCNH2HRH1CCR3SIGMAR1
SCHEMBL3377233 0.85 HRH3 (0.49) HRH3KCNH2OPRM1OPRK1HRH1
SCHEMBL3379308 0.85 HRH3 (0.39) HRH3CXCR4CHRNB2CHRNA4SIGMAR1
SCHEMBL3376562 0.84 HRH3 (0.56) HRH3KCNH2OPRM1OPRK1HRH1
SCHEMBL3376243 0.83 HRH3 (0.50) HRH3KCNH2HRH1CCR3KMT2A
SCHEMBL3376590 0.82 HRH3 (0.53) HRH3KCNH2OPRM1OPRK1HRH1
SCHEMBL3379778 0.82 HRH3 (0.55) HRH3KCNH2OPRM1OPRK1HRH1

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 8 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-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 1/4885CXCR4 397/4885ROCK1 2285/4885

“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.