SCHEMBL2284757

SCHEMBL2284757

CC1(C)CCCN(CCCOc2ccc(C3(O)CCN(C(=O)O)C(C(C)(C)C)C3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
HRH3 Q9Y5N1 9/20 0.47
HRH1 P35367 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL4779591 0.82 HRH3 (0.51) MAOBHRH3
SCHEMBL12376852 0.80 HRH3 (0.62) MAOBHRH3HRH1ALDH1A1MEN1
SCHEMBL2284753 0.78 MAOB (0.57) MAOBHRH3HRH1ALDH1A1MEN1
SCHEMBL4649485 0.75 MAOB (0.55) MAOBHRH3HRH1ALDH1A1MEN1
SCHEMBL18689716 0.73 DRD2 (0.44) ALDH1A1DRD2
SCHEMBL4649475 0.73 HRH3 (0.51) MAOBHRH3HRH1ALDH1A1MEN1
SCHEMBL14495446 0.71 MAOB (0.70) MAOBHRH3MEN1KMT2ADRD2
SCHEMBL2280615 0.70 MAOB (0.72) MAOBHRH3MEN1KMT2ADRD2
SCHEMBL4670214 0.68 HRH3 (0.66) HRH3HRH1ALDH1A1MEN1LMNA
SCHEMBL4596832 0.67 MAOB (0.63) MAOBHRH3HRH1DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989629-B2 3-(4-{ [4-(4-{ [3-(3, 3-dimethyl-1-piperidinyl) propyl] oxy} phenyl)-1-piperidinyl] carbonyl}-1-naphthalenyl) propanoic or propenoic acid as H1 and H3 receptor antagonists for the treatment of inflammatory and/or allergic disorders GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
EP-2157087-A1 3-(4-{[4-(4-{[3-(3,3-DIMETHYL-1-PIPERIDINYL)PROPYL]OXY}PHENYL)-1-PIPERIDINYL]CARBONYL}-1-NAPHTHALENYL)PROPANOIC OR PROPENOIC ACID AS H1 AND H3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND/OR ALLERGIC DISORDERS GLAXO GROUP LIMITED (GB) 2010-02-24 EP disclosed
EP-1963307-B1 3- (4- { [4-(4-{ [3-(3, 3-DIMETHYL-1-PIPERIDINYL) PROPYL[0XY] PHENYL) -1-PIPERIDINYL CARBONYL }-1-NAPHTHALENYL) PROPANOIC OR PROPENOIC ACID AS H1 AND H3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND/OR ALLERGIC DISORDERS GLAXO GROUP LTD (GB) 2009-11-25 EP disclosed
US-20080312280-A1 3- (4-{ [4- (4-{ [3-(3, 3-Dimethyl-1-Piperidinyl) Propyl] Oxy} Phenyl) -1-Piperidinyl] Carbonyl}-1-Naphthalenyl) Propanoic or Propenoic Acid as H1 and H3 Receptor Antagonists for the Treatment of Inflammatory and/or Allergic Disorders GLAXO GROUP LIMITED (GB) 2008-12-18 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-20080312280-A1 3- (4-{ [4- (4-{ [3-(3, 3-Dimethyl-1-Piperidinyl) Propyl] Oxy} Phenyl) -1-Piperidinyl] Carbonyl}-1-Naphthalenyl) Propanoic or Propenoic Acid as H1 and H3 Receptor Antagonists for the Treatment of Inflammatory and/or Allergic Disorders HRH3, HRH1, HRH2 MAOB 3569/4885HRH3 1/4885HRH1 2/4885

“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.