SCHEMBL3893526

SCHEMBL3893526

Cn1cnc2cc(N3CCC[C@@H](NC(=O)O)C3)n(Cc3cc(F)ccc3Cl)c2c1=O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.62
CYP3A4 P08684 5/20 0.53
CYP2D6 P10635 4/20 0.53
FAP Q12884 2/20 0.44
CYP1A2 P05177 2/20 0.40
DPP8 Q6V1X1 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
SCHEMBL13647479 0.90 DPP4 (0.58) DPP4CYP3A4CYP2D6FAP
SCHEMBL5426211 0.84 DPP4 (0.53) DPP4CYP3A4FAP
SCHEMBL3897399 0.83 DPP4 (0.46) DPP4CYP3A4CYP2D6FAP
SCHEMBL3907836 0.83 DPP4 (0.61) DPP4CYP3A4CYP2D6FAPCYP1A2
SCHEMBL3906776 0.83 DPP4 (0.61) DPP4CYP3A4CYP2D6FAPCYP1A2
SCHEMBL3897565 0.82 DPP4 (0.57) DPP4FAP
SCHEMBL3897834 0.81 DPP4 (0.43) DPP4CYP3A4CYP2D6FAP
SCHEMBL3898967 0.80 DPP4 (0.42) DPP4CYP3A4CYP2D6FAP
SCHEMBL2201252 0.78 DPP4 (0.57) DPP4CYP3A4FAP
SCHEMBL3895959 0.78 DPP4 (0.50) DPP4CYP3A4CYP2D6FAPCYP1A2

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.