SCHEMBL1452092

SCHEMBL1452092

CC(C)(C)OC(=O)N1CCC(=O)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
MAPT P10636 2/20 0.41
GPR119 Q8TDV5 6/20 0.41
CNR2 P34972 1/20 0.39
MGLL Q99685 2/20 0.39
ABHD6 Q9BV23 2/20 0.39
PLA2G7 Q13093 1/20 0.39
CHRM4 P08173 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
TACR1 P25103 1/20 0.38
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
SRD5A1 P18405 1/20 0.37
CYP2D6 P10635 1/20 0.37
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37
BUB1 O43683 1/20 0.37

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
SCHEMBL31064165 1.00 NOTUM (0.45) NOTUMMAPTGPR119CNR2MGLL
SCHEMBL15663537 0.90 NOTUM (0.48) NOTUMMAPTGPR119CHRM4DRD2
SCHEMBL3530939 0.84 NOTUM (0.44) NOTUMMAPTGPR119TACR1ERAP2
SCHEMBL22868066 0.84 KDM4E (0.41) NOTUMGPR119CHRM4DRD2HTR7
SCHEMBL1451477 0.83 NOTUM (0.64) NOTUMCNR2XIAPBIRC2
SCHEMBL31064203 0.82 CHRM4 (0.39) GPR119CHRM4DRD2HTR7NR1H2
SCHEMBL1815751 0.82 ABHD6 (0.42) GPR119ABHD6CHRM4DRD2HTR7
SCHEMBL29829118 0.82 ABHD6 (0.42) GPR119ABHD6CHRM4DRD2HTR7
SCHEMBL30804525 0.81 NOTUM (0.44) NOTUMMAPTGPR119CHRM4DRD2
SCHEMBL6647243 0.81 NOTUM (0.44) NOTUMMAPTGPR119CHRM4DRD2

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-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
CN-101228131-B Novel heterocyclylideneacetamide derivatives MOCHIDA PHARM CO LTD 2013-01-09 CN disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US disclosed
EP-1908753-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2008-04-09 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 (2 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-20080287428-A1 Novel Heterocyclidene Acetamide Derivative TRPV1, TRPV3, TRPA1 NOTUM 1696/4885MAPT 4346/4885GPR119 624/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 NOTUM 1696/4885MAPT 4346/4885GPR119 624/4885

“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.