SCHEMBL5236772

SCHEMBL5236772

Cn1c(CCl)c(-c2ccc(F)cc2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.60
CYP3A4 P08684 2/20 0.45
KCNH2 Q12809 2/20 0.40
KCNA5 P22460 1/20 0.40
TACR1 P25103 2/20 0.40
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39

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
SCHEMBL6110970 0.89 DPP4 (0.77) DPP4CYP3A4KCNH2KCNA5TACR1
SCHEMBL5240910 0.89 DPP4 (0.59) DPP4CYP3A4KCNH2KCNA5TACR1
Hydrochloric Acid SCHEMBL5236244 0.88 DPP4 (0.76) DPP4CYP3A4KCNH2KCNA5TACR1
SCHEMBL5231318 0.86 DPP4 (0.57) DPP4KCNH2KCNA5TACR1GABRA1
SCHEMBL5238796 0.85 DPP4 (0.58) DPP4CYP3A4KCNH2KCNA5GABRA1
SCHEMBL5237229 0.83 DPP4 (0.56) DPP4CYP3A4TACR1
SCHEMBL5233652 0.82 DPP4 (0.57) DPP4CYP3A4KCNH2KCNA5TACR1
SCHEMBL5236714 0.82 DPP4 (0.70) DPP4KCNH2KCNA5TACR1
SCHEMBL6108085 0.80 DPP4 (0.53) DPP4CYP3A4KCNH2KCNA5TACR1
SCHEMBL5238214 0.79 TACR1 (0.51) DPP4CYP3A4TACR1

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
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
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 DPP4 2/4885CYP3A4 663/4885KCNH2 995/4885

“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.