SCHEMBL3377429

SCHEMBL3377429

COc1ncccc1C(=O)N(C)CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
GPR6 P46095 8/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
P2RX7 Q99572 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ACKR3 P25106 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3375023 0.90 HRH3 (0.40) HRH3GRIN1GRIN2BMEN1KMT2A
SCHEMBL3378913 0.86 HRH3 (0.44) HRH3MEN1KMT2AP2RX7POLB
SCHEMBL3376019 0.85 HRH3 (0.42) HRH3MEN1KMT2APOLBKDM4E
SCHEMBL3377872 0.85 HRH3 (0.47) HRH3GPR6MEN1KMT2AACKR3
SCHEMBL3375223 0.84 HRH3 (0.41) HRH3GRIN1GRIN2BMEN1KMT2A
SCHEMBL3375091 0.84 KMT2A (0.41) HRH3MEN1KMT2AP2RX7POLB
SCHEMBL3376867 0.83 HRH3 (0.41) HRH3MEN1KMT2AP2RX7POLB
SCHEMBL3376526 0.83 HRH3 (0.40) HRH3MEN1KMT2AP2RX7CD274
SCHEMBL3377329 0.83 HRH3 (0.40) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3376806 0.82 HRH3 (0.43) HRH3MEN1KMT2APOLBKDM4E

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 1/4885GRIN1 164/4885GRIN2B 50/4885

“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.