SCHEMBL12384673

SCHEMBL12384673

CC(C)(C)[C@H]1CC[C@H](NC(=O)c2ccncc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
HPGDS O60760 2/20 0.54
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GFER P55789 1/20 0.49
CYP46A1 Q9Y6A2 1/20 0.48
EPHX1 P07099 1/20 0.47
NAMPT P43490 3/20 0.47
CYP19A1 P11511 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
GRM5 P41594 1/20 0.46

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
SCHEMBL1544549 0.87 L3MBTL1 (0.61) MAPTGAAKDM4EL3MBTL1ALDH1A1
SCHEMBL12424510 0.84 MEN1 (0.61) MAPTHPGDSEPHX1PTGDR2NPC1
SCHEMBL14263473 0.84 MEN1 (0.61) MAPTHPGDSEPHX1PTGDR2NPC1
SCHEMBL6055005 0.83 ALDH1A1 (0.64) MAPTHPGDSL3MBTL1ALDH1A1CYP46A1
SCHEMBL17133511 0.83 GAA (0.55) GAAKDM4EL3MBTL1ALDH1A1GFER
SCHEMBL12385843 0.83 GAA (0.55) GAAKDM4EL3MBTL1ALDH1A1GFER
SCHEMBL25946525 0.82 GAA (0.49) HPGDSGAAKDM4EL3MBTL1ALDH1A1
SCHEMBL2455994 0.82 EPHX1 (0.54) HPGDSEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL14117679 0.82 SMYD3 (0.51) MAPTHPGDSEPHX1PTGDR2NPC1
SCHEMBL23573442 0.81 CYP46A1 (0.56) MAPTGAAKDM4EL3MBTL1ALDH1A1

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 MAPT 4361/4885HPGDS 188/4885GAA 2545/4885

“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.