SCHEMBL3243013

SCHEMBL3243013

CC(C)(C)OC(=O)N1CC[C@H](CSCc2nnnn2-c2ccccc2)[C@@H](CCOC2CCCCO2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
HSD11B1 P28845 1/20 0.38
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 4/20 0.36
MAPT P10636 5/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
HPGDS O60760 1/20 0.34
USP30 Q70CQ3 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL3246092 0.73 MEN1 (0.39) THRBSMN1; SMN2GPR119MAPT
SCHEMBL3247572 0.73 MEN1 (0.36) THRBSMN1; SMN2GAAGPR119MAPT
SCHEMBL3243016 0.72 SMN1; SMN2 (0.37) THRBSMN1; SMN2GAAGPR119MAPT
SCHEMBL3250607 0.70 GPR119 (0.38) THRBSMN1; SMN2GAAGPR119LMNA
SCHEMBL3247577 0.67 MEN1 (0.36) GPR119MAPTJAK2JAK1
SCHEMBL3557759 0.67 GPR119 (0.57) THRBSMN1; SMN2GAAGPR119LMNA
SCHEMBL632936 0.66 GPR119 (0.47) THRBGPR119LMNAPOLBTP53
SCHEMBL5448476 0.65 ALDH1A1 (0.43) THRBSMN1; SMN2GAAGPR119LMNA
SCHEMBL3253748 0.65 ALDH1A1 (0.43) THRBSMN1; SMN2GAAGPR119LMNA
SCHEMBL3249302 0.64 GPR119 (0.41) THRBSMN1; SMN2GAAGPR119LMNA

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
EP-1799674-B1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-05 EP disclosed
US-20070173532-A1 New Piperidine Antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-26 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 (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-20070173532-A1 New Piperidine Antibiotics OPRM1, SIGMAR1, CBR3 THRB 2100/4885SMN1; SMN2 2971/4885GAA 3929/4885

“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.