SCHEMBL3915246

SCHEMBL3915246

CCCCN1C(=O)C(C(C)C)NC12CCN(C(=S)Nc1cccc(C)c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4036406 0.83 UBE2M (0.39) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL3916142 0.81 CYP3A4 (0.35) ALDH1A1MEN1KMT2ALMNACYP3A4
SCHEMBL3925966 0.79 MAPT (0.49) ALDH1A1KMT2ALMNACYP2C9CYP2C19
SCHEMBL3916834 0.78 MEN1 (0.44) ALDH1A1MEN1KMT2AGAACYP3A4
SCHEMBL3916730 0.78 CYP3A4 (0.39) CYP3A4CYP2C9
Benzamide SCHEMBL3918735 0.74 CYP3A4 (0.40) ALDH1A1KMT2ALMNACYP3A4CYP2C9
SCHEMBL3917060 0.72 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL1800047 0.69 CCR5 (0.38) ALDH1A1CYP3A4CYP2C9
SCHEMBL3922314 0.69 CYP3A4 (0.33) CYP3A4
SCHEMBL3916075 0.69 LMNA (0.44) ALDH1A1MEN1KMT2ALMNANPC1

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 ALDH1A1 199/4885MEN1 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.