SCHEMBL12376850

SCHEMBL12376850

CC1(C)CCCN(CCCOc2ccc(C3CCN(C(=O)c4cccc5ccccc45)CC3)cc2)C1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.73
HRH1 P35367 1/20 0.73
GCGR P47871 2/20 0.54
MAOB P27338 2/20 0.48
KCNH2 Q12809 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CCR5 P51681 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BCHE P06276 2/20 0.45
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
MAOA P21397 1/20 0.44

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
SCHEMBL13437974 0.87 HRH3 (0.56) HRH3HRH1GCGRMAOBKCNH2
SCHEMBL3158896 0.86 HRH3 (0.85) HRH3HRH1MAOBKCNH2CYP3A4
SCHEMBL13438274 0.85 HRH3 (0.56) HRH3HRH1GCGRMAOBKCNH2
SCHEMBL991736 0.84 HRH3 (1.00) HRH3HRH1MAOBKCNH2CYP3A4
SCHEMBL2283302 0.83 HRH3 (0.86) HRH3HRH1MAOBKCNH2CYP3A4
SCHEMBL29638864 0.82 HRH3 (0.95) HRH3HRH1MAOBKCNH2CYP3A4
SCHEMBL12376851 0.82 GCGR (0.52) HRH3HRH1GCGRMAOBKCNH2
SCHEMBL7809741 0.80 HRH1 (0.56) HRH3HRH1GCGRALDH1A1CCR5
SCHEMBL7814084 0.80 HRH1 (0.56) HRH3HRH1GCGRALDH1A1CCR5
SCHEMBL7817573 0.78 ALDH1A1 (0.59) HRH3HRH1ALDH1A1CYP3A4CYP2C9

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
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
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

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 2/4885GCGR 662/4885

“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.