SCHEMBL4031793

SCHEMBL4031793

CC(C)N1CCC(CC2CCN(c3ccc(C#N)nc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.42
CHEK1 O14757 6/20 0.39
LCAT P04180 1/20 0.38
TACR3 P29371 1/20 0.38
MEN1 O00255 1/20 0.37
AOC3 Q16853 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
SCHEMBL5212466 0.86 HRH3 (0.48) HRH3CHEK1LCATTACR3
Hydrochloric Acid SCHEMBL5211669 0.85 HRH3 (0.47) HRH3CHEK1LCATTACR3
SCHEMBL3863105 0.80 HRH3 (0.62) HRH3TACR3MEN1
SCHEMBL4031344 0.80 HRH3 (0.42) HRH3LCATTACR3MEN1
Hydrochloric Acid SCHEMBL3859424 0.79 HRH3 (0.61) HRH3TACR3MEN1
SCHEMBL3857360 0.77 HRH3 (0.69) HRH3TACR3MEN1
SCHEMBL4032728 0.77 HRH3 (0.53) HRH3
SCHEMBL4032294 0.77 HRH3 (0.53) HRH3
Hydrochloric Acid SCHEMBL3860910 0.76 HRH3 (0.68) HRH3TACR3MEN1
SCHEMBL22570967 0.76 LCAT (0.47) CHEK1LCATTACR3MEN1AOC3

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
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
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 620/4885CHEK1 4657/4885LCAT 3798/4885

“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.