SCHEMBL13340907

SCHEMBL13340907

CCN1C(=O)C(F)(F)Oc2cc(C(C)C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
OPRK1 P41145 2/20 0.33
OPRD1 P41143 1/20 0.33
ALPL P05186 1/20 0.33
PARK7 Q99497 1/20 0.32
CNR1 P21554 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
NR1H3 Q13133 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAOB P27338 1/20 0.30
PKM P14618 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
SCHEMBL13340916 0.85 SLC9A1 (0.39) KMT2AMEN1OPRK1OPRD1ALPL
SCHEMBL13340824 0.82 GABRG2 (0.40) OPRK1OPRD1OPRM1OPRL1NR1H3
SCHEMBL16601592 0.82 KMT2A (0.38) KMT2AMEN1ALPLPARK7CNR1
SCHEMBL13340973 0.81 NR3C2 (0.38) KMT2AMEN1OPRK1OPRD1ALPL
SCHEMBL13340902 0.77 MARK3 (0.30)
SCHEMBL13340941 0.75 RORC (0.46) POLB
SCHEMBL13367716 0.75 SLC9A1 (0.37) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL13340925 0.75 OPRD1 (0.43) KMT2AMEN1OPRK1OPRD1TP53
SCHEMBL13340990 0.75 SLC9A1 (0.37) KMT2AMEN1OPRK1OPRD1OPRM1
SCHEMBL13340988 0.72 CRHR1 (0.36) KMT2AMEN1OPRK1OPRD1OPRM1

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-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
WO-2009012421-A1 CYCLIC AMINE SUBSTITUTED PYRIMIDINEDIAMINES AS PKC INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2009-01-22 WO 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 KMT2A 1354/4885MEN1 2409/4885OPRK1 1685/4885

“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.