SCHEMBL13647359

SCHEMBL13647359

Cn1c(=O)c2c(cc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cc(F)ccc2Cl)n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.57
CYP3A4 P08684 6/20 0.57
CYP2D6 P10635 4/20 0.57
CYP1A2 P05177 2/20 0.54
KCNH2 Q12809 1/20 0.45
FAP Q12884 2/20 0.44
KDM4D Q6B0I6 1/20 0.41
DPP8 Q6V1X1 1/20 0.41

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
SCHEMBL13647357 0.90 DPP4 (0.47) DPP4CYP3A4CYP2D6CYP1A2
SCHEMBL3907836 0.90 DPP4 (0.61) DPP4CYP3A4CYP2D6CYP1A2KCNH2
SCHEMBL3906776 0.90 DPP4 (0.61) DPP4CYP3A4CYP2D6CYP1A2KCNH2
SCHEMBL13647466 0.89 DPP4 (0.49) DPP4CYP3A4CYP2D6CYP1A2FAP
SCHEMBL921182 0.85 DPP4 (0.47) DPP4CYP3A4CYP2D6CYP1A2FAP
SCHEMBL13647479 0.84 DPP4 (0.58) DPP4CYP3A4CYP2D6FAPKDM4D
SCHEMBL14648441 0.82 DPP4 (0.68) DPP4CYP3A4CYP2D6CYP1A2KCNH2
SCHEMBL171020 0.81 DPP4 (0.77) DPP4CYP3A4CYP2D6CYP1A2KCNH2
SCHEMBL30065223 0.81 DPP4 (0.77) DPP4CYP3A4CYP2D6CYP1A2KCNH2
Water SCHEMBL4313660 0.81 DPP4 (0.79) DPP4CYP3A4CYP2D6CYP1A2KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601728-B2 Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-13 US disclosed
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 US disclosed
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-06-11 US disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US disclosed
EP-1829877-A1 BICYCLIC PYRROLE DERIVATIVES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-05 EP 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 (3 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-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 DPP4 1/4885CYP3A4 6/4885CYP2D6 13/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 DPP4 1/4885CYP3A4 6/4885CYP2D6 15/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 DPP4 1/4885CYP3A4 6/4885CYP2D6 15/4885

“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.