SCHEMBL4031344

SCHEMBL4031344

N#Cc1ccc(N2CCC(CC3CCN(C4CCC4)CC3)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.42
L3MBTL3 Q96JM7 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.39
LCAT P04180 1/20 0.38
PARP1 P09874 2/20 0.37
TNK2 Q07912 2/20 0.37
TNK1 Q13470 2/20 0.37
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
TACR3 P29371 1/20 0.36
USP14 P54578 1/20 0.36

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
SCHEMBL5208629 0.86 HRH3 (0.48) HRH3L3MBTL3L3MBTL1LCATPARP1
Hydrochloric Acid SCHEMBL5210549 0.85 HRH3 (0.47) HRH3L3MBTL3L3MBTL1LCATPARP1
SCHEMBL4031793 0.80 HRH3 (0.42) HRH3MEN1LCATTACR3
SCHEMBL3863653 0.78 HRH3 (0.48) HRH3TACR3
Hydrochloric Acid SCHEMBL3858300 0.77 HRH3 (0.47) HRH3TACR3
SCHEMBL4032479 0.77 HRH3 (0.53) HRH3L3MBTL3L3MBTL1
SCHEMBL151047 0.76 MAPT (0.46) L3MBTL1MEN1LCATPARP1TNK2
SCHEMBL27909230 0.76 CHRNB2 (0.44) MEN1LCATPARP1TNK2TNK1
SCHEMBL4035015 0.76 HRH3 (0.53) HRH3L3MBTL3L3MBTL1MEN1
SCHEMBL22570967 0.76 LCAT (0.47) MEN1LCATCDK1CDK2TACR3

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 13 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
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 HRH3 620/4885L3MBTL3 2451/4885L3MBTL1 2656/4885

“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.