SCHEMBL5239041

SCHEMBL5239041

Cn1c(CCl)c(OCc2ccccc2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.51
CYP3A4 P08684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAOB P27338 2/20 0.38

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
SCHEMBL5234673 0.89 DPP4 (0.50) DPP4CYP3A4NPSR1KDM4EALOX15
SCHEMBL5239816 0.88 DPP4 (0.50) DPP4CYP3A4GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL5238660 0.88 DPP4 (0.61) DPP4CYP3A4NPSR1KDM4EALOX15
SCHEMBL5236656 0.83 DPP4 (0.44) DPP4CYP3A4KDM4EALOX15TSHR
SCHEMBL5238609 0.82 DPP4 (0.45) DPP4CYP3A4NPSR1KDM4EALOX15
SCHEMBL5236683 0.81 DPP4 (0.45) DPP4GABRA1GABRG2GABRB3GABRA5
SCHEMBL5232364 0.81 DPP4 (0.49) DPP4CYP3A4GABRA1GABRG2GABRB3
SCHEMBL5235974 0.81 DPP4 (0.42) DPP4KDM4EALOX15TSHRTDP1
SCHEMBL5237536 0.81 DPP4 (0.44) DPP4NPSR1KDM4ETSHRTDP1
SCHEMBL5235791 0.80 GRM5 (0.46) DPP4CYP3A4NPSR1KDM4EALOX15

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 3 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-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 DPP4 2/4885CYP3A4 663/4885NPSR1 2290/4885

“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.