SCHEMBL4034653

SCHEMBL4034653

CC(C)N1CCC(CC2CCN(c3cnc(C(F)(F)F)nc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.44
LCAT P04180 4/20 0.38
CHRM4 P08173 4/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
HRH4 Q9H3N8 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
SCHEMBL5211308 0.85 HRH3 (0.44) HRH3LCAT
SCHEMBL4034706 0.80 HRH3 (0.38) HRH3LCATCHRM4CHRM2CHRM1
Hydrochloric Acid SCHEMBL4691212 0.77 HRH3 (0.69) HRH3
SCHEMBL3860780 0.74 HRH3 (0.77) HRH3
SCHEMBL4032380 0.74 OGA (0.47) HRH3LCAT
SCHEMBL4031793 0.74 HRH3 (0.42) HRH3LCAT
Hydrochloric Acid SCHEMBL3867514 0.74 HRH3 (0.76) HRH3
SCHEMBL4666712 0.74 HRH3 (0.64) HRH3
SCHEMBL4032294 0.73 HRH3 (0.53) HRH3
SCHEMBL4032728 0.73 HRH3 (0.53) HRH3

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 11 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

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 620/4885LCAT 3798/4885CHRM4 144/4885

“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.