Sugi Predict

Sugi Predict / Compounds / SCHEMBL4570091

SCHEMBL4570091

SCHEMBL4570091

CC(C)COC(=O)Nc1ccc(N2CCC[C@]3(CCN(C4CCOCC4)C3=O)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TP53 P04637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ LCK P06239 3/20 0.37
▸ KDR P35968 3/20 0.37
▸ HCK P08631 2/20 0.37
▸ SRC P12931 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ RET P07949 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ PDGFRA P16234 1/20 0.37

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
SCHEMBL17082022 1.00 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL4570080 0.90 MAPT (0.45) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL17082021 0.90 MAPT (0.45) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL4570089 0.89 SMN1; SMN2 (0.55) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL17082079 0.89 SMN1; SMN2 (0.55) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL17082006 0.89 CRBN (0.41) SMN1; SMN2MAPTNPC1RAB9ALCK
SCHEMBL4570063 0.89 CRBN (0.41) SMN1; SMN2MAPTNPC1RAB9ALCK
SCHEMBL17082132 0.89 MAPT (0.38) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL4570086 0.89 MAPT (0.38) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL17082070 0.88 L3MBTL1 (0.40) SMN1; SMN2MAPTNPC1RAB9ATP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 — — US disclosed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 — — US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 — — US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 — — US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 — — US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 — — 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 (2 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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 SMN1; SMN2 3517/4885MAPT 3735/4885NPC1 722/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 SMN1; SMN2 3517/4885MAPT 3735/4885NPC1 722/4885

“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.