SCHEMBL3379893

SCHEMBL3379893

Cc1cccc(NC(=O)N(C)CC2CC(Oc3ccc(CN4CCCC4)c(Cl)c3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NLRP3 Q96P20 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
KCNH2 Q12809 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA1A P35348 1/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CCR5 P51681 1/20 0.37

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
SCHEMBL3376712 0.93 HRH3 (0.52) HRH3HRH1CCR3KCNH2LMNA
SCHEMBL3377227 0.93 HRH3 (0.49) HRH3DRD2ADRA1AALDH1A1LMNA
SCHEMBL3379355 0.92 HRH3 (0.49) HRH3HRH1CCR3DRD2ADRA1A
SCHEMBL3378477 0.92 HRH3 (0.54) HRH3SMN1; SMN2HRH1CCR3KCNH2
SCHEMBL3378851 0.91 HRH3 (0.48) HRH3SMN1; SMN2CCR3RAB9ANPC1
SCHEMBL3378473 0.91 HRH3 (0.50) HRH3SMN1; SMN2L3MBTL1HRH1CCR3
SCHEMBL3379639 0.91 HRH3 (0.53) HRH3SMN1; SMN2L3MBTL1HRH1CCR3
SCHEMBL3380772 0.90 HRH3 (0.50) HRH3DCUN1D1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL3379880 0.89 HRH3 (0.49) HRH3HRH1CCR3KCNH2RAB9A
SCHEMBL3377621 0.89 DCUN1D1 (0.47) HRH3DCUN1D1RAB9A

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 1/4885DCUN1D1 4363/4885SMN1; SMN2 2038/4885

“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.