SCHEMBL2283302

SCHEMBL2283302

COC(=O)CCc1ccc(C(=O)N2CCC(c3ccc(OCCCN4CCCC(C)(C)C4)cc3)CC2)c2ccccc12

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.86
HRH1 P35367 1/20 0.86
MAOB P27338 3/20 0.42
MAOA P21397 1/20 0.41
KCNH2 Q12809 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
S1PR1 P21453 1/20 0.41
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL991736 0.92 HRH3 (1.00) HRH3HRH1MAOBMAOAKCNH2
SCHEMBL3158896 0.91 HRH3 (0.85) HRH3HRH1MAOBMAOAKCNH2
SCHEMBL29638864 0.90 HRH3 (0.95) HRH3HRH1MAOBMAOAKCNH2
SCHEMBL12376850 0.83 HRH3 (0.73) HRH3HRH1MAOBMAOAKCNH2
SCHEMBL12410095 0.78 HRH3 (0.74) HRH3HRH1MAOBMAOAKCNH2
SCHEMBL4920804 0.77 HRH3 (0.72) HRH3HRH1MAOBKCNH2S1PR1
SCHEMBL2284285 0.76 HRH3 (0.60) HRH3HRH1MAOBKCNH2S1PR1
SCHEMBL13438201 0.75 HRH3 (0.54) HRH3HRH1MAOBKCNH2CYP2C9
SCHEMBL12376853 0.72 MAOB (0.58) HRH3HRH1MAOBKCNH2CYP3A4
SCHEMBL13438274 0.71 HRH3 (0.56) HRH3HRH1MAOBKCNH2

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
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
EP-1963307-A1 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 LIMITED (GB) 2008-09-03 EP disclosed
WO-2007071691-A1 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 LIMITED (GB) 2007-06-28 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-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 HRH3 1/4885HRH1 2/4885MAOB 3569/4885

“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.