SCHEMBL5235752

SCHEMBL5235752

Cn1c(CO)c(OCC2CCCC2)c2cc(Cl)ccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
DPP4 P27487 3/20 0.41
PARP15 Q460N3 2/20 0.37
PARP10 Q53GL7 2/20 0.37
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
PTGER1 P34995 2/20 0.36
CNR1 P21554 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAPK8 P45983 1/20 0.35

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
SCHEMBL5238925 0.90 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5DPP4
SCHEMBL7558991 0.89 DPP4 (0.51) GABRA1GABRG2GABRB3GABRA5DPP4
Hydrochloric Acid SCHEMBL5234681 0.88 DPP4 (0.50) GABRA1GABRG2GABRB3GABRA5DPP4
SCHEMBL5231871 0.86 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5DPP4
SCHEMBL5235297 0.83 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5DPP4
SCHEMBL5239103 0.83 DPP4 (0.41) GABRA1GABRG2GABRB3GABRA5DPP4
SCHEMBL6107420 0.82 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5DPP4
SCHEMBL5237699 0.80 DPP4 (0.44) GABRA1GABRG2GABRB3GABRA5DPP4
SCHEMBL5231873 0.80 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5PTGER1
SCHEMBL5233155 0.80 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5PTGER1

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 GABRA1 3124/4885GABRG2 3321/4885GABRB3 2911/4885

“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.