SCHEMBL3999947

SCHEMBL3999947

CN(C)C(=O)c1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.51
SMYD3 Q9H7B4 2/20 0.51
OTUD7B Q6GQQ9 1/20 0.48
CRBN Q96SW2 5/20 0.45
NPC1 O15118 1/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
ROCK2 O75116 1/20 0.43
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
DDB1 Q16531 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL19864587 0.88 CRBN (0.53) SMYD3CRBNNPC1MAPK13MAPK12
SCHEMBL29145025 0.86 CRBN (0.56) SMYD3OTUD7BCRBNHDAC6
SCHEMBL18153120 0.86 SMYD3 (0.47) CA9SMYD3CRBNNPC1MAPK13
SCHEMBL2218590 0.83 CA9 (0.56) CA9SMYD3CRBNNPC1MAPK13
SCHEMBL9379920 0.81 CA9 (0.62) CA9SMYD3CRBNNPC1MAPK13
SCHEMBL1144991 0.81 SMYD3 (0.59) CA9SMYD3CRBNNPC1MAPK13
Hydrochloric Acid SCHEMBL27785028 0.80 SMYD3 (0.58) CA9SMYD3CRBNNPC1MAPK13
SCHEMBL18153040 0.79 CA9 (0.51) CA9SMYD3CRBNNPC1MAPK13
SCHEMBL2497788 0.79 CRBN (0.64) CA9SMYD3CRBNNPC1MAPK13
SCHEMBL12663992 0.79 CA9 (0.51) CA9SMYD3CRBNNPC1MAPK13

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
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 WO disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 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-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R CA9 706/4885SMYD3 1977/4885OTUD7B 2622/4885

“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.