SCHEMBL3376808

SCHEMBL3376808

CN(CC1CC(Oc2ccc(CN3CCCC3)c(Cl)c2)C1)C(=O)Cc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
SIGMAR1 Q99720 2/20 0.39
CYP2C9 P11712 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP2J2 P51589 1/20 0.38
KCNH2 Q12809 4/20 0.36
MLNR O43193 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
HRH1 P35367 3/20 0.36
CCR3 P51677 3/20 0.36
ROCK1 Q13464 2/20 0.35
ROCK2 O75116 1/20 0.35
CYP19A1 P11511 1/20 0.35
S1PR1 P21453 1/20 0.35
PRKX P51817 1/20 0.35
ACVR1 Q04771 1/20 0.35
S1PR5 Q9H228 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
SCHEMBL3376237 0.90 HRH3 (0.48) HRH3SIGMAR1KCNH2OPRM1OPRK1
SCHEMBL3377369 0.88 SIGMAR1 (0.46) HRH3SIGMAR1KCNH2
SCHEMBL3377746 0.88 HRH3 (0.52) HRH3CYP2C9EPHX2CYP2J2KCNH2
SCHEMBL3376562 0.86 HRH3 (0.56) HRH3KCNH2MLNROPRM1OPRK1
SCHEMBL3378210 0.86 HRH3 (0.49) HRH3SIGMAR1KCNH2MLNRHRH1
SCHEMBL3377233 0.86 HRH3 (0.49) HRH3KCNH2OPRM1OPRK1HRH1
SCHEMBL3376590 0.85 HRH3 (0.53) HRH3SIGMAR1KCNH2MLNROPRM1
SCHEMBL3377148 0.85 HRH3 (0.55) HRH3EPHX2KCNH2MLNROPRM1
SCHEMBL3379778 0.85 HRH3 (0.55) HRH3SIGMAR1KCNH2MLNROPRM1
SCHEMBL3376151 0.85 HRH3 (0.49) HRH3KCNH2MLNRHRH1CCR3

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 1/4885SIGMAR1 908/4885CYP2C9 2121/4885

“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.