SCHEMBL3377582

SCHEMBL3377582

CN(CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.40
HTR1A P08908 3/20 0.40
DRD2 P14416 3/20 0.40
HTR7 P34969 3/20 0.40
HTR2C P28335 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CXCR4 P61073 2/20 0.36
CACNA1B Q00975 1/20 0.35
CCR5 P51681 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HTR6 P50406 4/20 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
SCHEMBL3379997 0.92 CXCR4 (0.41) HTR2AHTR1ADRD2HTR7HRH3
SCHEMBL3377402 0.91 HTR2A (0.39) HTR2AHTR1ADRD2HTR7HTR2C
SCHEMBL3377710 0.91 SOS1 (0.38) HRH3CXCR4CACNA1BKDM4EALDH1A1
SCHEMBL3376778 0.90 HTR2A (0.37) HTR2ADRD2HTR7HTR2CHRH3
SCHEMBL3380056 0.90 CXCR4 (0.45) HTR2AHTR1ADRD2HTR7HRH3
SCHEMBL3376676 0.90 SOS1 (0.43) HRH3CXCR4KDM4EALDH1A1POLB
SCHEMBL3376207 0.89 CACNA1B (0.48) CACNA1BCCR5KDM4EALDH1A1
SCHEMBL3377588 0.89 KDM4E (0.36) HTR2AHTR1ADRD2HTR7HRH3
SCHEMBL3377079 0.88 HRH3 (0.34) HTR2AHTR1ADRD2HTR7HRH3
SCHEMBL3379302 0.88 CXCR4 (0.42) HRH3CXCR4KDM4EALDH1A1POLB

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 HTR2A 33/4885HTR1A 15/4885DRD2 126/4885

“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.