SCHEMBL20135092

SCHEMBL20135092

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H2 P55055 2/20 0.40
HSD11B1 P28845 1/20 0.38
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.35
USP2 O75604 1/20 0.34
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
PIK3CD O00329 1/20 0.33

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
SCHEMBL24463662 1.00 CHRM2 (0.46) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL27441852 0.88 CHRM2 (0.47) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL20135097 0.85 NR1H2 (0.39) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL34474572 0.80 NR1H2 (0.37) CHRM2CHRM1CHRM3NR1H2HSD11B1
SCHEMBL3247661 0.79 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL2202251 0.79 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL764147 0.79 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL376321 0.79 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL2202801 0.79 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL13079208 0.79 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB

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 CHRM2 3548/4885CHRM1 4159/4885CHRM3 4489/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CHRM2 3294/4885CHRM1 3911/4885CHRM3 4375/4885

“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.