SCHEMBL13340973

SCHEMBL13340973

CCN1C(=O)C2(CCC2)Oc2cc(C(C)C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRD1 P41143 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
ALPL P05186 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
HASPIN Q8TF76 1/20 0.31
CDK19 Q9BWU1 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PGR P06401 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL13341143 0.90 OPRK1 (0.48) NR3C2OPRK1OPRD1OPRM1OPRL1
SCHEMBL16601602 0.83 NR3C2 (0.40) NR3C2ALPLALDH1A1KMT2AATM
SCHEMBL13340970 0.83 NR3C2 (0.42) NR3C2OPRK1OPRD1OPRM1OPRL1
SCHEMBL17434459 0.82 ATAD2 (0.44) NR3C2OPRM1OPRL1ALPLALDH1A1
SCHEMBL13341126 0.82 SLC9A1 (0.40) NR3C2OPRK1OPRD1OPRM1OPRL1
SCHEMBL13961731 0.82 NR3C2 (0.39) NR3C2ALPLALDH1A1MEN1KMT2A
SCHEMBL13340916 0.82 SLC9A1 (0.39) NR3C2OPRK1OPRD1ALPLALDH1A1
SCHEMBL13340907 0.81 KMT2A (0.36) OPRK1OPRD1OPRM1OPRL1ALPL
SCHEMBL17434319 0.78 MAPT (0.39) NR3C2ALDH1A1MEN1KMT2AMAPT
SCHEMBL17434414 0.76 ATAD2 (0.46) NR3C2ALPLALDH1A1MEN1KMT2A

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-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 NR3C2 3768/4885OPRK1 1685/4885OPRD1 3050/4885

“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.