SCHEMBL3377326

SCHEMBL3377326

Oc1ccc(CN2CCCC2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
POLB P06746 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP2A13 Q16696 1/20 0.50
MAOA P21397 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
CHKA P35790 1/20 0.48
ACHE P22303 2/20 0.47
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
METAP2 P50579 1/20 0.46
NPC1 O15118 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL10665225 0.84 POLB (0.53) KDM4EPOLBALDH1A1MAOAACHE
SCHEMBL24508364 0.81 KDM4E (0.73) KDM4EPOLBALDH1A1TDP1CYP2A13
SCHEMBL30596611 0.80 KDM4E (0.71) KDM4EPOLBALDH1A1TDP1CYP2A13
SCHEMBL10728397 0.79 MAOA (0.54) KDM4EPOLBALDH1A1TDP1CYP2A13
SCHEMBL3378826 0.79 MAPK1 (0.53) KDM4EALDH1A1TDP1MAOAACHE
SCHEMBL1395268 0.79 KDM4E (0.67) KDM4EALDH1A1MAOAACHETSHR
SCHEMBL17918743 0.79 KDM4E (0.56) KDM4EPOLBALDH1A1TDP1CYP2A13
SCHEMBL2208032 0.79 ACHE (0.60) KDM4EPOLBALDH1A1TDP1CYP2A13
SCHEMBL2107836 0.79 TSHR (0.58) KDM4EPOLBALDH1A1TDP1CYP2A13
SCHEMBL2933311 0.78 ALDH1A1 (0.49) KDM4EPOLBALDH1A1TDP1CYP2A13

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 9 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 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-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-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
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 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 KDM4E 3381/4885POLB 1820/4885ALDH1A1 923/4885

“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.