SCHEMBL13340944

SCHEMBL13340944

CCCN1C(=O)COc2cc(C(C)C)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ALOX12 P18054 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.39
KMO O15229 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
MCHR1 Q99705 1/20 0.38
TP53 P04637 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL13340941 0.89 RORC (0.46) HTTCHRM5CHRM1CHRM3ALOX12
SCHEMBL13340994 0.88 CRHR1 (0.43) HTTCHRM5CHRM1CHRM3ALOX12
SCHEMBL13341037 0.86 TSHR (0.43) CHRM5CHRM1CHRM3ALOX12POLB
SCHEMBL16601580 0.82 HTT (0.52) HTTCHRM5CHRM1CHRM3POLB
SCHEMBL13340987 0.82 NPY5R (0.42) HTTCHRM5CHRM1CHRM3ALOX12
SCHEMBL13340815 0.81 CYP11B2 (0.51)
SCHEMBL10619000 0.81 CHRM1 (0.64) HTTCHRM5CHRM1CHRM3BRD4
SCHEMBL16522709 0.81 CHRM1 (0.47) HTTCHRM5CHRM1CHRM3POLB
SCHEMBL13961733 0.81 CHRM5 (0.47) HTTCHRM5CHRM1CHRM3BRD4
SCHEMBL10849516 0.78 L3MBTL1 (0.53) HTTCHRM5CHRM1CHRM3HSD17B10

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 HTT 3875/4885CHRM5 3332/4885CHRM1 3309/4885

“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.