SCHEMBL6112299

SCHEMBL6112299

CCCCOc1c(CCNC(=O)OCC2c3ccccc3-c3ccccc32)n(CC(C)C)c(=O)c2ccc(-c3nc(C(=O)OCC)cs3)cc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.33
NPC1 O15118 2/20 0.33
CLK1 P49759 1/20 0.33
KMT2A Q03164 2/20 0.33
CXCR2 P25025 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
XIAP P98170 2/20 0.32
DPP4 P27487 2/20 0.31
ROCK2 O75116 1/20 0.31
SHMT2 P34897 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL5321491 0.94 RAB9A (0.34) RAB9ANPC1CLK1KMT2ACXCR2
SCHEMBL6112296 0.88 RAB9A (0.34) RAB9ANPC1CLK1KMT2AGAA
SCHEMBL27599399 0.88 ACHE (0.34) KMT2ADPP4TP53
SCHEMBL5317843 0.84 DPP4 (0.39) DPP4
SCHEMBL5234053 0.83 LMNA (0.34) KMT2AMEN1XIAPTP53
SCHEMBL299730 0.81 DPP4 (0.44) RAB9ANPC1CLK1GAADPP4
Hydrochloric Acid SCHEMBL5235399 0.80 DPP4 (0.43) RAB9ANPC1CLK1GAADPP4
SCHEMBL5236366 0.79 ABCB1 (0.38) RAB9ANPC1CLK1GAADPP4
SCHEMBL27582057 0.78 DPP4 (0.42) DPP4
SCHEMBL5234421 0.74 DPP4 (0.39) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 RAB9A 3400/4885NPC1 2372/4885CLK1 2176/4885

“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.