SCHEMBL5231900

SCHEMBL5231900

CCCCOc1c(N(C)C(=O)O)n(CC(C)C)c(=O)c2ccc(-c3ccccn3)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1D1 P20393 1/20 0.38
DPP4 P27487 11/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL27582033 0.89 CYP1A2 (0.37) METAP2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL5237315 0.89 DPP4 (0.42) DPP4TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL27581815 0.84 METAP2 (0.38) METAP2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL5232988 0.83 CNR2 (0.36) DPP4TSHRSMN1; SMN2HSD17B10
SCHEMBL5237566 0.83 PSMB5 (0.37) DPP4SMN1; SMN2HSD17B10
SCHEMBL6107171 0.83 METAP2 (0.42) METAP2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL5237505 0.82 DPP4 (0.44) DPP4MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL5231896 0.82 METAP2 (0.42) METAP2CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL5270279 0.82 PGR (0.42) DPP4KMT2ATSHRSMN1; SMN2HSD17B10
SCHEMBL5237435 0.82 DPP4 (0.38) DPP4KMT2ATSHRSMN1; SMN2HSD17B10

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP 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 METAP2 25/4885CYP1A2 752/4885CYP2D6 992/4885

“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.