SCHEMBL3906801

SCHEMBL3906801

Cn1c(=S)[nH]c2c(C#N)c(N3CCC[C@@H](NC(=O)O)C3)n(Cc3cc(F)ccc3Cl)c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.42
FAP Q12884 2/20 0.42
KCNH2 Q12809 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 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
SCHEMBL13647470 0.91 DPP4 (0.49) DPP4FAPCYP3A4CYP2D6CYP1A2
SCHEMBL3894570 0.85 DPP4 (0.50) DPP4FAPKCNH2CYP3A4CYP2D6
SCHEMBL3893159 0.84 DPP4 (0.48) DPP4FAPKCNH2
SCHEMBL3895192 0.82 DPP4 (0.48) DPP4FAPKCNH2
SCHEMBL3897565 0.82 DPP4 (0.57) DPP4FAP
SCHEMBL3899510 0.82 DPP4 (0.47) DPP4FAPKCNH2
SCHEMBL3900628 0.80 DPP4 (0.54) DPP4FAPKCNH2
SCHEMBL13647417 0.77 DPP4 (0.53) DPP4FAP
SCHEMBL3899050 0.76 DPP4 (0.62) DPP4FAPKCNH2
SCHEMBL16313495 0.76 DPP4 (0.53) DPP4FAP

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 1/4885FAP 221/4885KCNH2 2035/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 DPP4 1/4885FAP 77/4885KCNH2 1787/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 DPP4 1/4885FAP 77/4885KCNH2 1787/4885

“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.