SCHEMBL3379412

SCHEMBL3379412

CN(CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)C(=O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.39
KCNH2 Q12809 4/20 0.39
HRH1 P35367 3/20 0.39
CCR3 P51677 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
FABP6 P51161 1/20 0.36
EPHX2 P34913 1/20 0.36
MLNR O43193 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL3377746 0.90 HRH3 (0.52) HRH3ALDH1A1KCNH2HRH1CCR3
SCHEMBL3375240 0.90 HRH3 (0.54) HRH3ALDH1A1KCNH2HRH1CCR3
SCHEMBL3380325 0.88 HRH3 (0.49) HRH3KCNH2HRH1CCR3MLNR
SCHEMBL3376850 0.88 ALDH1A1 (0.45) HRH3ALDH1A1HTTKCNH2OPRM1
SCHEMBL3376261 0.87 HRH3 (0.52) HRH3ALDH1A1KCNH2HRH1CCR3
SCHEMBL3376237 0.87 HRH3 (0.48) HRH3KCNH2HRH1CCR3OPRM1
SCHEMBL3376749 0.86 HRH3 (0.54) HRH3ALDH1A1KCNH2HRH1CCR3
SCHEMBL3379026 0.86 HRH3 (0.50) HRH3ALDH1A1KCNH2HRH1CCR3
SCHEMBL3377473 0.85 HRH3 (0.53) HRH3KCNH2HRH1CCR3
SCHEMBL3380151 0.84 HRH3 (0.52) HRH3KCNH2HRH1CCR3EPHX2

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 6 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

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 923/4885HTT 179/4885

“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.