SCHEMBL17549436

SCHEMBL17549436

N[C@H]1CN(c2ncnc(N3CCC(F)(F)C3)n2)CC1N1CC(F)(F)CCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 14/20 1.00
▸ DPP8 Q6V1X1 3/20 0.49
▸ DPP9 Q86TI2 1/20 0.39
▸ MAP3K12 Q12852 4/20 0.36
▸ ROCK2 O75116 1/20 0.31
▸ ACACB O00763 1/20 0.31

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
SCHEMBL163161 1.00 DPP4 (1.00) DPP4DPP8DPP9MAP3K12ROCK2
SCHEMBL196669 1.00 DPP4 (1.00) DPP4DPP8DPP9MAP3K12ROCK2
SCHEMBL14648433 0.92 DPP4 (0.85) DPP4DPP8DPP9MAP3K12
SCHEMBL3928376 0.85 DPP4 (1.00) DPP4DPP8DPP9MAP3K12
SCHEMBL3928382 0.85 DPP4 (1.00) DPP4DPP8DPP9MAP3K12
SCHEMBL3923070 0.79 DPP4 (1.00) DPP4DPP8DPP9MAP3K12
SCHEMBL3923073 0.79 DPP4 (1.00) DPP4DPP8DPP9MAP3K12
SCHEMBL3920628 0.78 DPP4 (0.79) DPP4DPP8DPP9MAP3K12
SCHEMBL3920632 0.78 DPP4 (0.79) DPP4DPP8DPP9MAP3K12
SCHEMBL3922424 0.73 DPP4 (0.73) DPP4DPP8MAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058769-A1 TREATMENT FOR DIABETES IN PATIENTS WITH INSUFFICIENT GLYCEMIC CONTROL DESPITE THERAPY WITH AN ORAL OR NON-ORAL ANTIDIABETIC DRUG BOEHRINGER INGELHEIM INT (DE) 2016-03-03 — — US disclosed
US-20160058769-A1 TREATMENT FOR DIABETES IN PATIENTS WITH INSUFFICIENT GLYCEMIC CONTROL DESPITE THERAPY WITH AN ORAL OR NON-ORAL ANTIDIABETIC DRUG BOEHRINGER INGELHEIM INT (DE) 2016-03-03 — — 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 (1 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-20160058769-A1 TREATMENT FOR DIABETES IN PATIENTS WITH INSUFFICIENT GLYCEMIC CONTROL DESPITE THERAPY WITH AN ORAL OR NON-ORAL ANTIDIABETIC DRUG DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP9 4/4885

“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.

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