SCHEMBL3376019

SCHEMBL3376019

CN(CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)C(=O)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CCR8 P51685 4/20 0.37
KCNH2 Q12809 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 2/20 0.36
HTR2C P28335 1/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 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
SCHEMBL3376806 0.92 HRH3 (0.43) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3377612 0.91 MCHR1 (0.46) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3377329 0.91 HRH3 (0.40) HRH3ALDH1A1KDM4EKCNH2MEN1
SCHEMBL3379004 0.90 MCHR1 (0.44) HRH3ALDH1A1KDM4ECYP2D6MEN1
SCHEMBL3380563 0.90 HRH3 (0.42) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3377593 0.88 HRH3 (0.41) HRH3ALDH1A1KDM4EHTTCYP3A4
SCHEMBL3378264 0.88 HRH3 (0.44) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3376526 0.87 HRH3 (0.40) HRH3ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL3377839 0.87 HRH3 (0.43) HRH3ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL3374996 0.86 HRH3 (0.40) HRH3ALDH1A1KDM4EMEN1KMT2A

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.