SCHEMBL4033694

SCHEMBL4033694

Cc1noc(-c2ccc(N3CCC(CC4CCN(C5CCC5)CC4)CC3)cn2)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.41
CNR2 P34972 2/20 0.41
HRH3 Q9Y5N1 4/20 0.39
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRKDC P78527 1/20 0.34

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
SCHEMBL4033859 0.84 CNR2 (0.41) OPRK1CNR2HRH3
SCHEMBL4667354 0.81 HRH3 (0.44) OPRK1HRH3L3MBTL1
Hydrochloric Acid SCHEMBL4667218 0.80 HRH3 (0.44) OPRK1HRH3L3MBTL1
SCHEMBL5210559 0.73 S1PR1 (0.43) OPRK1HRH3L3MBTL3L3MBTL1
SCHEMBL4034511 0.72 USP7 (0.45) OPRK1
SCHEMBL5665173 0.72 HRH3 (0.42) OPRK1HRH3
SCHEMBL4035015 0.71 HRH3 (0.53) HRH3L3MBTL3L3MBTL1
SCHEMBL4031344 0.71 HRH3 (0.42) HRH3L3MBTL3L3MBTL1
SCHEMBL4032292 0.70 ACHE (0.42) OPRK1
SCHEMBL4032479 0.70 HRH3 (0.53) HRH3L3MBTL3L3MBTL1

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-7638631-B2 Methylene dipiperidine derivatives GLAXO GROUP LIMITED (GB) 2009-12-29 US claimed
EP-1789410-B1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2009-06-17 EP claimed
US-20080108624-A1 Methylene Dipiperidine Derivatives GLAXO GROUP LIMITED (GB) 2008-05-08 US claimed
US-7638631-B2 Methylene dipiperidine derivatives GLAXO GROUP LIMITED (GB) 2009-12-29 US disclosed
EP-1789410-B1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2009-06-17 EP disclosed
US-20080108624-A1 Methylene Dipiperidine Derivatives GLAXO GROUP LIMITED (GB) 2008-05-08 US disclosed
EP-1789410-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-05-30 EP disclosed
WO-2006029906-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-03-23 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 (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-20080108624-A1 Methylene Dipiperidine Derivatives DRD2, DRD4, PNMT OPRK1 88/4885CNR2 70/4885HRH3 620/4885

“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.