SCHEMBL3376850

SCHEMBL3376850

CN(CC1CC(Oc2ccc(CN3CCCC3)cc2)C1)C(=O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.45
ADRB2 P07550 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNH2 Q12809 4/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
MCHR1 Q99705 2/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL3377360 0.89 ADRB2 (0.47) ADRB2MEN1KMT2AKCNH2HRH3
SCHEMBL3379412 0.88 HRH3 (0.49) ALDH1A1HTTKCNH2OPRM1HRH3
SCHEMBL3375009 0.87 ADRB2 (0.44) ADRB2MEN1KMT2AKCNH2HRH3
SCHEMBL2107998 0.86 CHRNB2 (0.45) ALDH1A1HTTADRB2MEN1KMT2A
SCHEMBL3377924 0.85 HRH3 (0.41) ADRB2MEN1KMT2AKCNH2HRH3
SCHEMBL3377329 0.83 HRH3 (0.40) ALDH1A1MEN1KMT2AKCNH2OPRM1
SCHEMBL3376263 0.83 KCNH2 (0.41) ADRB2MEN1KMT2AKCNH2HRH3
SCHEMBL3378086 0.82 KCNH2 (0.44) ALDH1A1ADRB2MEN1KMT2AKCNH2
SCHEMBL3376165 0.81 CACNA1I (0.52) ALDH1A1HTTKMT2AKCNH2MCHR1
SCHEMBL3378010 0.81 HRH3 (0.49) ADRB2MEN1KMT2AHRH3

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-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 923/4885HTT 179/4885ADRB2 87/4885

“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.