SCHEMBL3916618

SCHEMBL3916618

CCCCN1C(=O)C(C(C)C)NC12CCN(S(=O)(=O)c1ccccc1C(=O)OC)CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
HSD17B10 Q99714 2/20 0.40
CYP19A1 P11511 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 2/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CCR5 P51681 7/20 0.36
HPGD P15428 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
SCHEMBL3925515 0.81 KDM4E (0.46) HSD17B10CYP3A4ALDH1A1HPGD
SCHEMBL3925486 0.80 POLB (0.38) LMNAPOLBHSD17B10CYP19A1ALDH1A1
SCHEMBL3918730 0.73 MMP2 (0.41) LMNAPOLBHSD17B10CYP19A1CYP3A4
SCHEMBL3919581 0.73 CYP3A4 (0.39) CYP3A4CCR5
SCHEMBL6616730 0.73 CCR5 (0.55) CYP3A4CCR5
SCHEMBL4036932 0.72 CYP3A4 (0.40) CYP3A4CCR5
Benzamide SCHEMBL3918735 0.71 CYP3A4 (0.40) LMNACYP3A4ALDH1A1CCR5
SCHEMBL1800972 0.70 L3MBTL1 (0.42) POLBCYP3A4
SCHEMBL4035065 0.70 CYP3A4 (0.38) CYP3A4CCR5
SCHEMBL4038065 0.70 CYP3A4 (0.38) CYP3A4CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US claimed
EP-1730144-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-06-10 EP claimed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US disclosed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 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-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds THPO, UGT1A8, UGT1A4 LMNA 1640/4885POLB 1447/4885PDE4A 624/4885

“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.