SCHEMBL1800968

SCHEMBL1800968

CCC(C(=O)O)N1C(=O)C(Cc2ccccc2)NC12CCN(C(=O)CC(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 8/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 4/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
USP7 Q93009 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
SCHEMBL1798796 0.89 KMT2A (0.37) ALDH1A1KMT2AMEN1GAARECQL
SCHEMBL1803451 0.87 ALDH1A1 (0.44) ALDH1A1CYP2D6
SCHEMBL1799979 0.87 CYP3A4 (0.40) CYP3A4ALDH1A1KMT2AMEN1GAA
SCHEMBL1801173 0.86 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1CYP2C9TSHR
SCHEMBL1798595 0.85 LMNA (0.46) ALDH1A1KMT2AMEN1GAAKDM4E
SCHEMBL1800500 0.85 MEN1 (0.41) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL1803052 0.85 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1GAAKDM4E
SCHEMBL1800768 0.84 KMT2A (0.43) ALDH1A1KMT2AMEN1KDM4ECYP2C9
SCHEMBL1801813 0.83 CYP2C9 (0.49) ALDH1A1KMT2AMEN1KDM4ECYP2C9
SCHEMBL1800700 0.82 CYP3A4 (0.37) CYP3A4ALDH1A1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US disclosed
US-20070015784-A1 Subsitituted 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 CYP3A4 156/4885ALDH1A1 2780/4885KMT2A 4267/4885

“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.