SCHEMBL12017166

SCHEMBL12017166

CC(C)(C)OC(=O)N1CC(=O)NCC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
BUB1 O43683 1/20 0.35
MAPK1 P28482 1/20 0.35
DDB1 Q16531 6/20 0.35
CRBN Q96SW2 6/20 0.35
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CTSK P43235 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL27121464 0.85 DDB1 (0.39) NR1H2BUB1MAPK1DDB1CRBN
SCHEMBL22454086 0.83 NR1H2 (0.36) NR1H2BUB1MAPK1GRIN2BGRIN2C
SCHEMBL27333238 0.80 USP2 (0.36) NR1H2BUB1MAPK1DDB1CRBN
SCHEMBL21244820 0.79 BUB1 (0.40) NR1H2BUB1MAPK1DDB1CRBN
SCHEMBL19280067 0.76 SMN1; SMN2 (0.35) CRBNSMN1; SMN2
SCHEMBL22445809 0.76 SMN1; SMN2 (0.35) CRBNSMN1; SMN2
SCHEMBL21598808 0.76 DDB1 (0.38) NR1H2BUB1DDB1CRBNGRIN2B
SCHEMBL26136524 0.75 NR1H2 (0.38) NR1H2MAPK1DDB1CRBNKDM4E
SCHEMBL16903481 0.73 USP2 (0.37) NR1H2BUB1DDB1CRBNGRIN2B
SCHEMBL24802887 0.73 CYP11B1 (0.36) BUB1MAPK1DDB1CRBNGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL R&D INVEST S A (PT) 2022-12-22 US disclosed
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 WO disclosed
US-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
US-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 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 (3 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-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY CACNA1B, SCN1A, CACNA1I NR1H2 2932/4885BUB1 3712/4885MAPK1 622/4885
US-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS ASAH2, ASAH1, GBA1 NR1H2 3126/4885BUB1 4757/4885MAPK1 4012/4885
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, PINK1 NR1H2 2464/4885BUB1 984/4885MAPK1 875/4885

“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.