SCHEMBL5206347

SCHEMBL5206347

CC(C)CN1CCC(Oc2ccc(-n3ccnc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
MMP1 P03956 5/20 0.54
NAMPT P43490 1/20 0.50
NOS2 P35228 2/20 0.47
CYP1A2 P05177 4/20 0.46
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2C19 P33261 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP19A1 P11511 1/20 0.46
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL5206529 0.84 HRH3 (0.57) HRH3MMP1
SCHEMBL4676590 0.77 MMP1 (0.54) MMP1NOS2CYP1A2CYP2D6CYP2C9
SCHEMBL5241002 0.77 HRH3 (0.56) HRH3MMP1NOS2
SCHEMBL4676596 0.76 MMP1 (0.53) MMP1NOS2CYP1A2CYP2D6CYP2C9
SCHEMBL2296994 0.74 LMNA (0.53) MMP1NOS2CYP1A2CYP2D6CYP2C9
SCHEMBL10511333 0.74 MMP1 (0.49) MMP1NOS2CYP1A2CYP2D6CYP2C9
SCHEMBL14956614 0.72 LMNA (0.51) MMP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12192815 0.72 HRH3 (0.56) HRH3NAMPTCYP3A4
SCHEMBL2930568 0.72 MMP1 (0.52) HRH3MMP1NAMPTCYP1A2CYP2D6
SCHEMBL2930567 0.72 MMP1 (0.52) HRH3MMP1NAMPTCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311482-B1 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2007-02-21 EP claimed
US-20050227979-A1 Non-imidazole aryloxypiperidines APODACA RICHARD 2005-10-13 US claimed
EP-1311482-A2 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-21 EP claimed
US-20020040024-A1 Non-imidazole aryloxypiperidines NORTEL NETWORKS LIMITED (CA) 2002-04-04 US claimed
WO-2002012190-A2 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO claimed
US-7241778-B2 Non-imidazole aryloxypiperidines ORTHO MCNEIL PHARMACEUTICAL, INC (US) 2007-07-10 US disclosed
US-7241778-B2 Non-imidazole aryloxypiperidines ORTHO MCNEIL PHARMACEUTICAL, INC (US) 2007-07-10 US disclosed
US-7241778-B2 Non-imidazole aryloxypiperidines ORTHO MCNEIL PHARMACEUTICAL, INC (US) 2007-07-10 US disclosed
EP-1311482-B1 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2007-02-21 EP disclosed
EP-1311482-B1 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARM INC (US) 2007-02-21 EP disclosed
US-7071191-B2 Non-imidazole aryloxypiperidines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-07-04 US disclosed
US-20050227979-A1 Non-imidazole aryloxypiperidines APODACA RICHARD 2005-10-13 US disclosed
EP-1311482-A2 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-21 EP disclosed
US-20020040024-A1 Non-imidazole aryloxypiperidines NORTEL NETWORKS LIMITED (CA) 2002-04-04 US disclosed
WO-2002012190-A2 NON-IMIDAZOLE ARYLOXYPIPERIDINES AS H3 RECEPTOR LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 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 (2 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-20020040024-A1 Non-imidazole aryloxypiperidines HRH2, HRH4, HRH3 HRH3 3/4885MMP1 2770/4885NAMPT 775/4885
US-20050227979-A1 Non-imidazole aryloxypiperidines HRH2, HRH4, HRH3 HRH3 3/4885MMP1 2770/4885NAMPT 775/4885

“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.