SCHEMBL13340948

SCHEMBL13340948

CC(C)c1ccc2c(c1)OCC(=O)N2C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PIK3CD O00329 2/20 0.35
PIK3R1 P27986 2/20 0.35
MTOR P42345 2/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 2/20 0.33
ALOX12 P18054 1/20 0.33
NR1H3 Q13133 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 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
SCHEMBL17807815 0.88 PIK3CD (0.41) MAOBPIK3CDPIK3R1MTORMAPT
SCHEMBL16601585 0.83 HTT (0.45) CYP11B1CYP11B2PIK3CDPIK3R1MTOR
SCHEMBL13340815 0.83 CYP11B2 (0.51) MAOBCYP11B1CYP11B2NR1H3GPR55
SCHEMBL14615641 0.82 SLC5A1 (0.43) MAOBPIK3CDPIK3R1MTORMAPT
SCHEMBL13962148 0.82 CYP11B2 (0.36) CYP11B1CYP11B2PIK3CDPIK3R1MTOR
SCHEMBL13340941 0.79 RORC (0.46) MAPTPOLBHTTALOX12TSHR
SCHEMBL17050420 0.78 MAOB (0.38) MAOBCYP11B1CYP11B2PIK3CDPIK3R1
SCHEMBL7350158 0.78 ALOX12 (0.47) POLBALOX12TSHRSMN1; SMN2HSD17B10
SCHEMBL18937271 0.77 TERT (0.48) MAPTPOLBHTTSMN1; SMN2HPGD
SCHEMBL13340944 0.77 HTT (0.47) MAPTPOLBHTTALOX12TSHR

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 MAOB 2213/4885CYP11B1 1155/4885CYP11B2 1206/4885

“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.