SCHEMBL4031218

SCHEMBL4031218

Cc1noc(-c2ccc(N3CCC(CC4CCN(C(C)C)CC4)CC3)c(F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.51
TP53 P04637 1/20 0.48
OPRK1 P41145 9/20 0.40
POLB P06746 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
OPRM1 P35372 2/20 0.37
TBK1 Q9UHD2 1/20 0.37
KCNH2 Q12809 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL5211726 0.88 NPY2R (0.49) NPY2RTP53OPRK1POLBTBK1
Hydrochloric Acid SCHEMBL5216190 0.87 NPY2R (0.49) NPY2RTP53OPRK1POLBTBK1
SCHEMBL4031576 0.83 ACHE (0.41) TP53OPRK1OPRM1KCNH2PIK3CD
SCHEMBL4032284 0.80 OPRK1 (0.44) OPRK1OPRM1PIK3CDPIK3CG
SCHEMBL4666781 0.79 NPY2R (0.51) NPY2RTP53POLBTBK1
SCHEMBL354519 0.76 NPY2R (0.52) NPY2RTP53POLBTBK1
Hydrochloric Acid SCHEMBL355157 0.75 NPY2R (0.52) NPY2RTP53POLBTBK1
SCHEMBL4033859 0.74 CNR2 (0.41) OPRK1OPRM1PIK3CDPIK3CG
SCHEMBL4034511 0.71 USP7 (0.45) TP53OPRK1KCNH2
SCHEMBL353983 0.71 NPY2R (0.79) NPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7638631-B2 Methylene dipiperidine derivatives GLAXO GROUP LIMITED (GB) 2009-12-29 US disclosed
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
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
US-20080108624-A1 Methylene Dipiperidine Derivatives GLAXO GROUP LIMITED (GB) 2008-05-08 US 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 NPY2R 410/4885TP53 4824/4885OPRK1 88/4885

“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.