SCHEMBL5207756

SCHEMBL5207756

c1cc(OC2CCNCC2)ccc1CN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.65
HRH1 P35367 2/20 0.56
CXCR4 P61073 3/20 0.54
ADRB2 P07550 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2C P18825 1/20 0.50
CCR2 P41597 1/20 0.50
CXCL12 P48061 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL7319892 0.88 HRH3 (0.72) HRH3ADRB2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7321774 0.86 HRH3 (0.70) HRH3ADRB2MEN1KMT2AALDH1A1
SCHEMBL13069638 0.86 HRH3 (0.71) HRH3ADRB2MEN1KMT2AALDH1A1
SCHEMBL5202557 0.86 HRH3 (0.67) HRH3HRH1
SCHEMBL21139770 0.85 HRH3 (0.56) HRH3HRH1CXCR4ADRB2MEN1
SCHEMBL1394072 0.83 HRH3 (0.59) HRH3CXCR4ADRB2MEN1KMT2A
SCHEMBL5203366 0.82 HRH3 (0.69) HRH3ADRB2MEN1KMT2ACCR2
SCHEMBL1004964 0.80 HRH3 (0.49) HRH3HRH1ADRB2MEN1KMT2A
SCHEMBL322114 0.80 HRH3 (0.56) HRH3CXCR4MEN1KMT2ACHRM2
SCHEMBL5203689 0.80 HRH3 (0.66) HRH3ADRB2

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 10 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
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 3/4885HRH1 5/4885CXCR4 1008/4885
US-20050227979-A1 Non-imidazole aryloxypiperidines HRH2, HRH4, HRH3 HRH3 3/4885HRH1 5/4885CXCR4 1008/4885

“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.