SCHEMBL3379936

SCHEMBL3379936

Cc1cccc(NC(=O)N(C)CC2CC(Oc3cccc(CN4CCCC4)c3Cl)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NLRP3 Q96P20 1/20 0.40
DCUN1D1 Q96GG9 2/20 0.39
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CXCR4 P61073 1/20 0.38
CCR5 P51681 1/20 0.38
KMT2A Q03164 1/20 0.37
UBE2M P61081 1/20 0.37
POLB P06746 1/20 0.37
DRD4 P21917 2/20 0.37
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL3377304 0.94 HRH3 (0.42) HRH3ALDH1A1KDM4EMAPTCXCR4
SCHEMBL3378690 0.92 MEN1 (0.42) HRH3SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL3380003 0.92 HRH3 (0.41) HRH3SMN1; SMN2DCUN1D1ALDH1A1MAPT
SCHEMBL3381102 0.92 HRH3 (0.42) HRH3SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL3376421 0.91 HRH3 (0.44) HRH3ALDH1A1KMT2APOLB
SCHEMBL3379649 0.91 HRH3 (0.41) HRH3SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL3377539 0.91 CCR3 (0.43) HRH3POLB
SCHEMBL3376040 0.91 HRH3 (0.43) HRH3SMN1; SMN2DCUN1D1ALDH1A1RAB9A
SCHEMBL3379727 0.91 TRPV1 (0.45) HRH3SMN1; SMN2RAB9AKMT2A
SCHEMBL3380108 0.89 HRH3 (0.43) HRH3SMN1; SMN2ALDH1A1KDM4EMAPT

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 12 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-1970450-B1 NUTRIENT MEDIUM FOR YEAST CULTURE CT NAC BIOPREPARADOS (CU) 2010-11-17 EP disclosed
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-1970450-A1 NUTRIENT MEDIUM FOR YEAST CULTURE CENTRO NACIONAL DE BIOPREPARADOS (CU) 2008-09-17 EP 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 1/4885SMN1; SMN2 2038/4885NLRP3 1087/4885

“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.