SCHEMBL696381

SCHEMBL696381

CCOC(=O)C1(c2nc(C)cs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 10/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL697727 0.79 TP53 (0.42) SLC6A4POLB
SCHEMBL5169008 0.75 MEN1 (0.51) MEN1MAPK1KMT2AOPRM1OPRD1
SCHEMBL1811353 0.74 MEN1 (0.50) MEN1MAPK1KMT2AOPRM1OPRD1
SCHEMBL22869165 0.74 MEN1 (0.70) MEN1MAPK1KMT2AOPRM1OPRD1
SCHEMBL21761027 0.73 OPRM1 (0.39) MEN1MAPK1KMT2AOPRM1OPRD1
SCHEMBL14709959 0.72 OPRM1 (0.39) MEN1MAPK1KMT2AOPRM1OPRD1
SCHEMBL19814664 0.72 CNR2 (0.38) POLB
SCHEMBL24618311 0.71 MEN1 (0.48) MEN1MAPK1KMT2AOPRM1OPRD1
SCHEMBL23972752 0.71 SMN1; SMN2 (0.38) MAPK1KMT2ASLC6A4
SCHEMBL24618312 0.71 MEN1 (0.47) MEN1MAPK1KMT2AOPRM1OPRD1

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
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
CN-102405211-A Proline derivatives as cathepsin inhibitors HOFFMANN LA ROCHE 2012-04-04 CN disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 MEN1 2996/4885MAPK1 1675/4885KMT2A 3959/4885

“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.