SCHEMBL5202813

SCHEMBL5202813

CCCCCCC(C)N1CCC(Oc2ccc(CN3CCOCC3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.71
SMN1; SMN2 Q16637 2/20 0.46
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 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
SCHEMBL7179046 0.93 HRH3 (0.62) HRH3SMN1; SMN2KCNH2MCHR1
SCHEMBL5208361 0.89 HRH3 (0.69) HRH3MEN1TSHRKMT2A
SCHEMBL5203468 0.87 HRH3 (0.80) HRH3SMN1; SMN2KCNH2MCHR1
SCHEMBL7196914 0.83 HRH3 (0.61) HRH3SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL5598306 0.83 HRH3 (0.73) HRH3SMN1; SMN2KCNH2
SCHEMBL5203377 0.83 HRH3 (1.00) HRH3SMN1; SMN2
SCHEMBL7180226 0.80 HRH3 (0.69) HRH3SMN1; SMN2KCNH2MCHR1
SCHEMBL5202949 0.79 HRH3 (0.70) HRH3SMN1; SMN2KCNH2MCHR1MEN1
SCHEMBL5202774 0.78 HRH3 (0.76) HRH3SMN1; SMN2KCNH2MCHR1MEN1
SCHEMBL14455196 0.75 HRH3 (0.79) HRH3MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20020040024-A1 Non-imidazole aryloxypiperidines NORTEL NETWORKS LIMITED (CA) 2002-04-04 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 (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 3/4885SMN1; SMN2 3177/4885KCNH2 703/4885
US-20050227979-A1 Non-imidazole aryloxypiperidines HRH2, HRH4, HRH3 HRH3 3/4885SMN1; SMN2 3177/4885KCNH2 703/4885

“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.