SCHEMBL991736

SCHEMBL991736

CC1(C)CCCN(CCCOc2ccc(C3CCN(C(=O)c4ccc(CCC(=O)O)c5ccccc45)CC3)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 1.00
HRH1 P35367 1/20 1.00
S1PR1 P21453 1/20 0.48
MAOB P27338 3/20 0.44
MAOA P21397 1/20 0.44
KCNH2 Q12809 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SIGMAR1 Q99720 1/20 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
SCHEMBL29638864 0.98 HRH3 (0.95) HRH3HRH1S1PR1MAOBMAOA
SCHEMBL2283302 0.92 HRH3 (0.86) HRH3HRH1S1PR1MAOBMAOA
SCHEMBL3158896 0.92 HRH3 (0.85) HRH3HRH1S1PR1MAOBMAOA
SCHEMBL12410095 0.85 HRH3 (0.74) HRH3HRH1S1PR1MAOBMAOA
SCHEMBL12376850 0.84 HRH3 (0.73) HRH3HRH1MAOBMAOAKCNH2
SCHEMBL4920804 0.84 HRH3 (0.72) HRH3HRH1S1PR1MAOBKCNH2
SCHEMBL2284285 0.76 HRH3 (0.60) HRH3HRH1S1PR1MAOBKCNH2
SCHEMBL12376853 0.73 MAOB (0.58) HRH3HRH1MAOBKCNH2CYP3A4
SCHEMBL13438274 0.72 HRH3 (0.56) HRH3HRH1MAOBKCNH2
SCHEMBL7814084 0.72 HRH1 (0.56) HRH3HRH1S1PR1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149731-A1 NEW MEDICAL USE GLAXO GROUP LIMITED (GB) 2012-06-14 US claimed
EP-2448578-A1 NEW MEDICAL USE Glaxo Group Limited (GB) 2012-05-09 EP claimed
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 claimed
WO-2011000765-A1 NEW MEDICAL USE GLAXO GROUP LIMITED (GB) 2011-01-06 WO claimed
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 claimed
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 claimed
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 claimed
US-20200405728-A1 METHODS OF PREVENTING AND TREATING HYPOGLYCEMIA IN TYPE 1 AND TYPE 2 DIABETES PATIENTS FEROX THERAPEUTICS LLC (US) 2020-12-31 US disclosed
US-20180207145-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DANIRIXIN FOR TREATING INFECTIOUS DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED 2018-07-26 US disclosed
EP-3142694-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DANIRIXIN FOR TREATING INFECTIOUS DISEASES Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-03-22 EP disclosed
WO-2015173701-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATING INFECTIOUS DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2015-11-19 WO disclosed
US-8772495-B2 5-lipoxygenase-activating protein inhibitor PANMIRA PHARMACEUTICALS, LLC (US) 2014-07-08 US disclosed
US-20120149731-A1 NEW MEDICAL USE GLAXO GROUP LIMITED (GB) 2012-06-14 US disclosed
US-20090291981-A1 5-Lipoxygenase-Activating Protein Inhibitor AMIRA PHARMACEUTICALS, INC. (US) 2009-11-26 US 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
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
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 (5 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-20180207145-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DANIRIXIN FOR TREATING INFECTIOUS DISEASES DDOST, DHX30, DDX5 HRH3 4481/4885HRH1 2824/4885S1PR1 1470/4885
US-20200405728-A1 METHODS OF PREVENTING AND TREATING HYPOGLYCEMIA IN TYPE 1 AND TYPE 2 DIABETES PATIENTS IAPP, GPR119, GHSR HRH3 11/4885HRH1 17/4885S1PR1 194/4885
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 2/4885S1PR1 47/4885
US-20090291981-A1 5-Lipoxygenase-Activating Protein Inhibitor ALOX5, LTA4H, ALOX5AP HRH3 3721/4885HRH1 1767/4885S1PR1 718/4885
US-20120149731-A1 NEW MEDICAL USE HRH4, CPA3, HRH2 HRH3 5/4885HRH1 4/4885S1PR1 183/4885

“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.