SCHEMBL3377859

SCHEMBL3377859

CN(CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
SOS1 Q07889 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 2/20 0.37
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
MLNR O43193 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.36
EPHX2 P34913 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CXCR4 P61073 2/20 0.35
CCR5 P51681 1/20 0.34
RORC P51449 1/20 0.34
HTR6 P50406 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
SCHEMBL3378015 0.90 HRH3 (0.45) HRH3SOS1ALDH1A1POLBHRH1
SCHEMBL3376020 0.89 CACNA1B (0.42) HRH3ALDH1A1HTR2AHTR2CHRH1
SCHEMBL3377343 0.89 SOS1 (0.44) HRH3SOS1ALDH1A1POLBEPHX2
SCHEMBL3377923 0.88 HRH3 (0.43) HRH3SOS1ALDH1A1POLBHRH1
SCHEMBL3377481 0.87 HRH3 (0.42) HRH3SMN1; SMN2SOS1ALDH1A1HTR2A
SCHEMBL3376681 0.86 HRH3 (0.42) HRH3SMN1; SMN2SOS1ALDH1A1POLB
SCHEMBL3376046 0.86 HRH3 (0.44) HRH3SMN1; SMN2SOS1ALDH1A1POLB
SCHEMBL3377762 0.86 HRH3 (0.41) HRH3SOS1ALDH1A1HRH1CCR3
SCHEMBL3376768 0.86 HRH3 (0.41) HRH3SMN1; SMN2SOS1ALDH1A1HRH1
SCHEMBL3379174 0.86 HRH3 (0.44) HRH3SMN1; SMN2ALDH1A1HTR1AEPHX2

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 1/4885SMN1; SMN2 2038/4885SOS1 2992/4885

“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.