SCHEMBL3916142

SCHEMBL3916142

CCCCN1C(=O)C(C(C)C)NC12CCN(C(=S)NC(C)C)CC2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR5 P51681 12/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL3916730 0.88 CYP3A4 (0.39) CYP3A4CCR5CYP2D6CYP2C9
SCHEMBL3919581 0.84 CYP3A4 (0.39) CYP3A4CCR5
SCHEMBL3925383 0.83 MAPK1 (0.37) MEN1KMT2ALMNAMAPK1ALDH1A1
SCHEMBL3916834 0.82 MEN1 (0.44) CYP3A4MEN1KMT2ACCR5ALDH1A1
SCHEMBL1800972 0.81 L3MBTL1 (0.42) CYP3A4MEN1KMT2A
SCHEMBL3915246 0.81 ALDH1A1 (0.45) CYP3A4MEN1KMT2ALMNAALDH1A1
SCHEMBL1800047 0.80 CCR5 (0.38) CYP3A4CCR5ALDH1A1CYP2D6CYP2C9
SCHEMBL3925515 0.79 KDM4E (0.46) CYP3A4KMT2AMAPK1ALDH1A1KDM4E
SCHEMBL3922314 0.78 CYP3A4 (0.33) CYP3A4CCR5
Benzamide SCHEMBL3918735 0.78 CYP3A4 (0.40) CYP3A4KMT2ACCR5LMNAALDH1A1

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 CYP3A4 12/4885MEN1 1493/4885KMT2A 4051/4885

“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.