SCHEMBL13340985

SCHEMBL13340985

CC(C)c1ccc2c(c1)OC(C)(C)C(=O)N2CC1CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
OPRD1 P41143 1/20 0.41
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
SCN9A Q15858 3/20 0.36
POLB P06746 2/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.36
SLC9A1 P19634 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
HPGD P15428 1/20 0.34
USP2 O75604 1/20 0.33
NR3C2 P08235 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
SCHEMBL19836546 0.86 CNR2 (0.37) OPRK1OPRM1OPRL1OPRD1ALDH1A1
SCHEMBL15786401 0.84 MAPT (0.40) OPRK1OPRM1OPRL1OPRD1MAPT
SCHEMBL13340916 0.83 SLC9A1 (0.39) OPRK1OPRD1MAPTALDH1A1KMT2A
SCHEMBL13961976 0.82 SCN9A (0.38) OPRM1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL13340925 0.81 OPRD1 (0.43) OPRK1OPRD1MAPTALDH1A1KMT2A
SCHEMBL13340990 0.81 SLC9A1 (0.37) OPRK1OPRM1OPRL1OPRD1MAPT
SCHEMBL15783493 0.81 CRHR1 (0.38) ALDH1A1KMT2ASMN1; SMN2MEN1SCN9A
SCHEMBL19954830 0.80 MAPT (0.36) OPRK1OPRM1OPRL1OPRD1MAPT
SCHEMBL19527553 0.79 SCN9A (0.46) OPRK1OPRM1OPRL1ALDH1A1KMT2A
SCHEMBL13340988 0.78 CRHR1 (0.36) OPRK1OPRM1OPRL1OPRD1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9913843-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2018-03-13 US disclosed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 US disclosed
US-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. 2010-05-27 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-20100130486-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS PRKCH, PKD2, PRKCQ OPRK1 1685/4885OPRM1 4298/4885OPRL1 3584/4885

“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.