SCHEMBL3377402

SCHEMBL3377402

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR6 P50406 6/20 0.37
CXCR4 P61073 2/20 0.37
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CCR5 P51681 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
HTR7 P34969 2/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 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
SCHEMBL3376778 0.92 HTR2A (0.37) HTR2AHTR2CCXCR4ALDH1A1POLB
SCHEMBL3380056 0.92 CXCR4 (0.45) HTR2AHTR6CXCR4ALDH1A1POLB
SCHEMBL3377582 0.91 HTR2A (0.40) HTR2AHTR2CHTR6CXCR4ALDH1A1
SCHEMBL3379302 0.91 CXCR4 (0.42) CXCR4ALDH1A1POLBKDM4EHRH3
SCHEMBL3377710 0.91 SOS1 (0.38) HTR6CXCR4ALDH1A1POLBKDM4E
SCHEMBL3376676 0.90 SOS1 (0.43) CXCR4ALDH1A1POLBKDM4EHRH3
SCHEMBL3376207 0.89 CACNA1B (0.48) ALDH1A1KDM4ECCR5
SCHEMBL3412556 0.89 BCHE (0.42) HTR2AHTR2CHTR6CXCR4POLB
SCHEMBL3377408 0.89 SIGMAR1 (0.42) CXCR4ADRA1AADRA1BALDH1A1KMT2A
SCHEMBL3376674 0.88 CXCR4 (0.41) HTR6CXCR4ALDH1A1POLBKDM4E

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 33/4885HTR2C 26/4885HTR6 30/4885

“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.