SCHEMBL3377673

SCHEMBL3377673

Cc1ccc(S(=O)(=O)N(C)CC2CC(Oc3cccc(CN4CCCC4)c3Cl)C2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CXCR4 P61073 3/20 0.33
CACNB4 O00305 1/20 0.32
CACNA1A O00555 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNG3 O60359 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNB3 P54284 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNG7 P62955 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNG1 Q06432 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
SCHEMBL3377328 0.93 ALDH1A1 (0.35) HRH3ALDH1A1KDM4EPOLBKMT2A
SCHEMBL3376783 0.90 ALDH1A1 (0.46) ALDH1A1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL3378684 0.90 ALDH1A1 (0.36) HRH3ALDH1A1KDM4EPOLBKMT2A
SCHEMBL3376778 0.88 HTR2A (0.37) HRH3ALDH1A1KDM4EPOLBCXCR4
SCHEMBL3376674 0.88 CXCR4 (0.41) HRH3ALDH1A1KDM4EPOLBKMT2A
SCHEMBL3377079 0.87 HRH3 (0.34) HRH3ALDH1A1KDM4EPOLBKMT2A
SCHEMBL3377588 0.86 KDM4E (0.36) HRH3ALDH1A1KDM4EPOLBSCN1A
SCHEMBL3380089 0.86 ALDH1A1 (0.40) HRH3ALDH1A1KDM4EPOLBKMT2A
SCHEMBL3375273 0.86 ALDH1A1 (0.41) HRH3ALDH1A1KDM4EPOLBKMT2A
SCHEMBL3379086 0.86 TSHR (0.39) HRH3ALDH1A1KDM4EPOLBKMT2A

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 HRH3 1/4885ALDH1A1 923/4885KDM4E 3381/4885

“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.