SCHEMBL13367654

SCHEMBL13367654

CCCN1C(=O)C2(CCC2)Oc2cc(C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
F2 P00734 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTR1A P08908 1/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL16601602 0.90 NR3C2 (0.40) NR3C2POLBALDH1A1KDM4EF2
SCHEMBL13341143 0.84 OPRK1 (0.48) NR3C2POLBALDH1A1KDM4EGAA
SCHEMBL16601600 0.82 NR3C2 (0.45) NR3C2POLBALDH1A1KDM4EF2
SCHEMBL16601598 0.81 ALDH1A1 (0.40) NR3C2POLBALDH1A1KDM4EF2
SCHEMBL13367760 0.76 SLC9A1 (0.40) NR3C2POLBALDH1A1KDM4EF2
SCHEMBL13961731 0.75 NR3C2 (0.39) NR3C2ALDH1A1LMNAKMT2AREN
SCHEMBL17434459 0.75 ATAD2 (0.44) NR3C2ALDH1A1KDM4EGAAMAPT
SCHEMBL7641182 0.74 NR3C2 (0.35) NR3C2REN
SCHEMBL13340973 0.73 NR3C2 (0.38) NR3C2ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL17434319 0.72 MAPT (0.39) NR3C2POLBALDH1A1GAAMAPT

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
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

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 NR3C2 3768/4885POLB 955/4885ALDH1A1 3843/4885

“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.