SCHEMBL3380045

SCHEMBL3380045

CN(CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)S(=O)(=O)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
HRH1 P35367 4/20 0.38
CCR3 P51677 4/20 0.38
OPRM1 P35372 3/20 0.38
OPRK1 P41145 2/20 0.38
OPRD1 P41143 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 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
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CXCR4 P61073 2/20 0.35
PGR P06401 1/20 0.35
MLNR O43193 1/20 0.34

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
SCHEMBL3377932 0.92 HRH3 (0.42) HRH3HRH1CCR3OPRM1OPRK1
SCHEMBL3378042 0.91 HRH3 (0.41) HRH3HRH1CCR3OPRM1OPRK1
SCHEMBL3413378 0.91 HRH3 (0.41) HRH3HRH1CCR3OPRM1OPRK1
SCHEMBL3378015 0.90 HRH3 (0.45) HRH3HRH1CCR3OPRM1OPRK1
SCHEMBL3377481 0.89 HRH3 (0.42) HRH3HTR2AHTR2CKDM4EALDH1A1
SCHEMBL3375089 0.88 HRH3 (0.43) HRH3HRH1CCR3OPRM1OPRK1
SCHEMBL3378096 0.88 HRH3 (0.43) HRH3HRH1CCR3OPRM1OPRK1
SCHEMBL3375325 0.88 HRH3 (0.43) HRH3HRH1CCR3OPRM1OPRK1
SCHEMBL3378149 0.87 HRH3 (0.42) HRH3HRH1CCR3OPRM1OPRK1
SCHEMBL3376065 0.87 HRH3 (0.42) HRH3HRH1CCR3OPRM1OPRK1

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 1/4885HRH1 4/4885CCR3 333/4885

“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.