SCHEMBL338489

SCHEMBL338489

COCCC(N)c1cnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.35
DPP8 Q6V1X1 8/20 0.35
CYP3A4 P08684 3/20 0.35
DPP9 Q86TI2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CRHR1 P34998 2/20 0.32

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
SCHEMBL338843 0.91 LIMK1 (0.30)
SCHEMBL338889 0.91 SCN4A (0.33) DPP4DPP8CYP3A4
SCHEMBL340137 0.88 DPP4 (0.39) DPP4DPP8CYP3A4DPP9CYP1A2
SCHEMBL338261 0.83 MAPT (0.30)
SCHEMBL338490 0.79 DPP4 (0.47) DPP4DPP8CYP3A4CRHR1
SCHEMBL338576 0.77 DPP4 (0.40) DPP4DPP8CYP3A4DPP9CYP1A2
SCHEMBL339845 0.76 DPP4 (0.32) DPP4DPP8CRHR1
SCHEMBL338816 0.76 DPP4 (0.40) DPP4DPP8CYP3A4DPP9CRHR1
SCHEMBL339713 0.76 DPP4 (0.40) DPP4DPP8CYP3A4DPP9CYP1A2
SCHEMBL869021 0.75 DPP4 (0.45) 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 3 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-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

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 DPP4 120/4885DPP8 403/4885CYP3A4 85/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885CYP3A4 85/4885

“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.