SCHEMBL338889

SCHEMBL338889

COCCC(N)c1cnc2cc(CN)c(-c3ccc(Cl)cc3C)cn12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.33
GRM5 P41594 1/20 0.31
DPP4 P27487 2/20 0.30
DPP8 Q6V1X1 2/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL338489 0.91 DPP4 (0.35) DPP4DPP8CYP3A4
SCHEMBL338261 0.90 MAPT (0.30)
SCHEMBL338843 0.86 LIMK1 (0.30)
SCHEMBL338890 0.80 DPP4 (0.41) DPP4DPP8CYP3A4
SCHEMBL340137 0.79 DPP4 (0.39) DPP4DPP8CYP3A4
SCHEMBL1912487 0.78 CRHR1 (0.42) DPP4DPP8CYP3A4
SCHEMBL338770 0.72 HTR1A (0.38) CYP3A4
SCHEMBL338621 0.71 DPP4 (0.40) DPP4DPP8CYP3A4
SCHEMBL339764 0.71 DPP4 (0.40) DPP4CYP3A4
SCHEMBL338490 0.71 DPP4 (0.47) DPP4DPP8CYP3A4

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 SCN4A 1378/4885GRM5 2618/4885DPP4 120/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC SCN4A 1378/4885GRM5 2618/4885DPP4 120/4885

“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.