SCHEMBL3376045

SCHEMBL3376045

CN(CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
P2RX7 Q99572 1/20 0.35
CXCR4 P61073 2/20 0.34
CYP2D6 P10635 2/20 0.33
TSHR P16473 1/20 0.33
PTGS2 P35354 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
CYP2A13 Q16696 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL3378045 0.91 KDM4E (0.40) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3376016 0.90 KDM4E (0.39) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3377477 0.89 KDM4E (0.39) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3377781 0.89 ALDH1A1 (0.41) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3377771 0.88 KDM4E (0.38) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3380056 0.88 CXCR4 (0.45) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3379302 0.88 CXCR4 (0.42) KDM4EALDH1A1POLBHRH3CXCR4
SCHEMBL3379997 0.87 CXCR4 (0.41) KDM4EALDH1A1POLBHRH3MEN1
SCHEMBL3376674 0.87 CXCR4 (0.41) KDM4EALDH1A1POLBHRH3KMT2A
SCHEMBL3380339 0.87 ALDH1A1 (0.37) KDM4EALDH1A1POLBHRH3MEN1

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 KDM4E 3381/4885ALDH1A1 923/4885POLB 1820/4885

“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.