SCHEMBL340132

SCHEMBL340132

Cc1ccc(-c2cn3c(C(=O)N4CCn5c(nnc5C(F)(F)F)C4)cnc3cc2CN)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
DPP4 P27487 19/20 0.39
DPP8 Q6V1X1 10/20 0.39
DPP9 Q86TI2 3/20 0.39
DPP7 Q9UHL4 2/20 0.39
ACE P12821 1/20 0.39
HTR2A P28223 1/20 0.39
FAP Q12884 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
SCHEMBL338898 0.92 DPP4 (0.46) P2RX7DPP4DPP8DPP9
SCHEMBL339759 0.86 DPP4 (0.51) P2RX7DPP4DPP8DPP9
SCHEMBL1911459 0.81 CNR1 (0.36) HTR2A
SCHEMBL338589 0.78 PIK3CA (0.44) DPP4DPP8DPP9
SCHEMBL338618 0.78 DPP4 (0.40) DPP4DPP8DPP9
SCHEMBL338615 0.77 SLC6A7 (0.43)
SCHEMBL1913151 0.75 CYP46A1 (0.36) DPP4DPP7
SCHEMBL1911461 0.73 DPP4 (0.37) DPP4DPP8DPP9
SCHEMBL340180 0.70 DPP4 (0.46) DPP4DPP8DPP9
SCHEMBL339697 0.70 DPP4 (0.48) DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 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 (2 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC P2RX7 2896/4885DPP4 120/4885DPP8 403/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC P2RX7 2896/4885DPP4 120/4885DPP8 403/4885

“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.