SCHEMBL3377495

SCHEMBL3377495

COc1ccc(S(=O)(=O)N(C)CC2CC(Oc3ccc(CN4CCCC4)c(Cl)c3)C2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
OXTR P30559 2/20 0.37
AVPR1B P47901 2/20 0.37
AVPR1A P37288 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
RORC P51449 1/20 0.36
ADRB2 P07550 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CCR3 P51677 1/20 0.36

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
SCHEMBL3377881 0.93 HRH3 (0.42) HRH3OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL3376593 0.89 RAB9A (0.49) HRH3ALDH1A1POLBKDM4EKMT2A
SCHEMBL3376055 0.88 ALDH1A1 (0.46) HRH3ALDH1A1POLBKMT2AMEN1
SCHEMBL3376046 0.88 HRH3 (0.44) HRH3OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL3375298 0.87 OXTR (0.38) ALDH1A1POLBKDM4EKMT2AMEN1
SCHEMBL3380356 0.86 HRH3 (0.42) HRH3ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL3380045 0.86 HRH3 (0.44) HRH3OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL3377481 0.85 HRH3 (0.42) HRH3ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3376065 0.85 HRH3 (0.42) HRH3OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL3376681 0.85 HRH3 (0.42) HRH3ALDH1A1POLBKDM4ERORC

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 8 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

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 1/4885OPRM1 225/4885OPRD1 158/4885

“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.