SCHEMBL5230685

SCHEMBL5230685

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE4D Q08499 1/20 0.32
TNF P01375 2/20 0.32
RXRA P19793 1/20 0.32
SLC6A5 Q9Y345 1/20 0.31
PSEN1 P49768 5/20 0.31
PSEN2 P49810 5/20 0.31
APH1B Q8WW43 5/20 0.31
NCSTN Q92542 5/20 0.31
APH1A Q96BI3 5/20 0.31
PSENEN Q9NZ42 5/20 0.31
TDP1 Q9NUW8 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL5231052 0.90 PSEN1 (0.35) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL27581944 0.90 PSEN1 (0.34) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5233891 0.89 RORA (0.37) DPP4SLC6A5PSEN1PSEN2APH1B
SCHEMBL5275963 0.89 RORA (0.37) LMNACYP1A2CYP2C9TSHRSLC6A5
SCHEMBL5234034 0.89 NPC1 (0.43) DPP4LMNAKDM4EALDH1A1HPGD
SCHEMBL5238707 0.88 LMNA (0.39) DPP4LMNATHRATHRBALDH1A1
SCHEMBL5231641 0.88 HTT (0.36) LMNATSHRPSEN1PSEN2APH1B
SCHEMBL5236407 0.88 PGR (0.41) DPP4SLC6A5KDM4EMEN1MAPT
SCHEMBL5232809 0.88 PTGDR2 (0.36) KDM4EMAPT
SCHEMBL5231956 0.88 CNR1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A

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 DPP4 2/4885LMNA 1764/4885CYP1A2 752/4885

“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.