SCHEMBL3916428

SCHEMBL3916428

CCOC(=O)NC(=S)N1CCC2(CC1)NC(C(C)C)C(=O)N2Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 2/20 0.38
NPY2R P49146 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL3916624 0.93 CCR5 (0.39) ALDH1A1NPY2R
SCHEMBL3914913 0.84 GAA (0.41) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL3916498 0.84 GAA (0.44) KDM4EKMT2AMEN1L3MBTL1MAPT
SCHEMBL3926266 0.84 MAPT (0.47) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL3918951 0.84 LMNA (0.44) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL1799198 0.80 LMNA (0.39) KDM4EKMT2AMEN1L3MBTL1GAA
SCHEMBL3927597 0.80 ALDH1A1 (0.48) KDM4EKMT2AMEN1L3MBTL1MAPT
SCHEMBL3928978 0.78 LMNA (0.41) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL3915520 0.76 HRH3 (0.48) KMT2AMEN1RAB9ALMNANPC1
SCHEMBL1799799 0.76 CYP2C19 (0.41) MAPTALDH1A1RAB9AOPRD1OPRK1

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 KDM4E 2581/4885KMT2A 4051/4885MEN1 1493/4885

“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.