SCHEMBL20135097

SCHEMBL20135097

CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H]1C(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
HSD11B1 P28845 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.33
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL20135092 0.85 CHRM2 (0.46) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL24463662 0.85 CHRM2 (0.46) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL13663627 0.80 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3MMP2
SCHEMBL3189177 0.80 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3MMP2
SCHEMBL1442385 0.80 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3MMP2
SCHEMBL13495901 0.80 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3MMP2
SCHEMBL765262 0.80 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3MMP2
SCHEMBL376475 0.80 NR1H2 (0.41) NR1H2CHRM2CHRM1CHRM3MMP2
SCHEMBL3248189 0.80 NR1H2 (0.34) NR1H2CHRM2CHRM1CHRM3MMP2
SCHEMBL34474572 0.78 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 NR1H2 3477/4885CHRM2 3548/4885CHRM1 4159/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 NR1H2 3531/4885CHRM2 3294/4885CHRM1 3911/4885

“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.