SCHEMBL12376852

SCHEMBL12376852

CN1CCC(O)(c2ccc(OCCCN3CCCC(C)(C)C3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.62
MAOB P27338 1/20 0.60
HRH1 P35367 3/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
DRD1 P21728 1/20 0.53
DRD5 P21918 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2A P28223 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR7 P34969 1/20 0.53
DRD3 P35462 1/20 0.53
HTR2B P41595 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
HRH2 P25021 1/20 0.47
POLB P06746 1/20 0.44
MAPT P10636 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
SCHEMBL2284753 0.85 MAOB (0.57) HRH3MAOBHRH1HTR1ADRD2
SCHEMBL4649475 0.83 HRH3 (0.51) HRH3MAOBHRH1HTR1ADRD2
SCHEMBL14495446 0.81 MAOB (0.70) HRH3MAOBDRD2SLC6A4MEN1
SCHEMBL4649485 0.81 MAOB (0.55) HRH3MAOBHRH1HTR1ADRD2
SCHEMBL2280615 0.80 MAOB (0.72) HRH3MAOBDRD2MEN1KMT2A
SCHEMBL2284757 0.80 MAOB (0.53) HRH3MAOBHRH1HTR1ADRD2
SCHEMBL4094104 0.77 HRH3 (1.00) HRH3HRH1HTR1ADRD2DRD1
SCHEMBL22384186 0.76 MEN1 (0.57) HRH3HRH1HTR1ADRD2DRD1
SCHEMBL4596832 0.76 MAOB (0.63) HRH3MAOBHRH1DRD2HRH2
SCHEMBL3583555 0.75 HRH3 (0.75) HRH3HRH1HTR1ADRD2DRD1

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 2 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-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 1/4885MAOB 3569/4885HRH1 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.