SCHEMBL3380089

SCHEMBL3380089

Cc1c(Cl)cccc1S(=O)(=O)N(C)CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 1/20 0.35
CXCR4 P61073 4/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
TP53 P04637 1/20 0.32
CYP2A13 Q16696 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
P2RX7 Q99572 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
SCHEMBL3375273 0.93 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBHRH3CXCR4
SCHEMBL3378684 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBHRH3CXCR4
SCHEMBL3375942 0.88 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBHRH3CXCR4
SCHEMBL3414214 0.87 NPY5R (0.41) MEN1KMT2AP2RX7
SCHEMBL3377328 0.86 ALDH1A1 (0.35) ALDH1A1KDM4EPOLBHRH3CXCR4
SCHEMBL3376471 0.86 KDM4E (0.39) ALDH1A1KDM4EPOLBTP53MEN1
SCHEMBL3377673 0.86 HRH3 (0.35) ALDH1A1KDM4EPOLBHRH3CXCR4
SCHEMBL3376674 0.86 CXCR4 (0.41) ALDH1A1KDM4EPOLBHRH3CXCR4
SCHEMBL3380056 0.85 CXCR4 (0.45) ALDH1A1KDM4EPOLBHRH3CXCR4
SCHEMBL3379086 0.85 TSHR (0.39) ALDH1A1KDM4EPOLBHRH3CXCR4

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 ALDH1A1 923/4885KDM4E 3381/4885POLB 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.