SCHEMBL3606991

SCHEMBL3606991

CCOC(=O)c1ccccc1N1CC2CN(C(=O)OC(C)(C)C)CCN2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.49
USP30 Q70CQ3 2/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
OPRM1 P35372 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
SCHEMBL3597649 0.86 SCN9A (0.53) SCN9AUSP30SMARCA2SMARCA4PBRM1
SCHEMBL30557779 0.83 USP30 (0.48) SCN9AUSP30KMT2AMEN1GPR119
SCHEMBL3604174 0.83 USP30 (0.48) SCN9AUSP30KMT2AMEN1GPR119
SCHEMBL3606701 0.82 SCN9A (0.53) SCN9AUSP30KMT2AMEN1SMARCA2
SCHEMBL3612528 0.81 USP30 (0.55) SCN9AUSP30TP53POLBGPR119
SCHEMBL3610026 0.80 SCN9A (0.51) SCN9AUSP30SMARCA2SMARCA4PBRM1
SCHEMBL3599625 0.80 SCN9A (0.51) SCN9AUSP30SMARCA2SMARCA4PBRM1
SCHEMBL3604813 0.79 USP30 (0.59) SCN9AUSP30SMARCA2SMARCA4PBRM1
SCHEMBL14598744 0.79 GAA (0.59) KMT2AMEN1TP53POLBGPR119
SCHEMBL3609870 0.78 USP30 (0.50) SCN9AUSP30KMT2AMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004249-A1 Bicyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2039695-A1 BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP 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-20100004249-A1 Bicyclic heterocyclic compound and use thereof HTR2C, HTR5A, HTR2A SCN9A 1132/4885USP30 4815/4885KMT2A 967/4885

“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.