SCHEMBL465003

SCHEMBL465003

N#C[C@@H]1C[C@H](F)CN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 1.00
FAP Q12884 1/20 0.68
DPP8 Q6V1X1 1/20 0.68
DPP9 Q86TI2 1/20 0.68

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
Hydrochloric Acid SCHEMBL5207169 0.99 DPP4 (0.98) DPP4FAPDPP8DPP9
SCHEMBL5802541 0.89 DPP4 (0.80) DPP4FAPDPP8DPP9
SCHEMBL5805098 0.89 DPP4 (0.80) DPP4FAPDPP8DPP9
SCHEMBL3940070 0.88 DPP4 (0.79) DPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL5207185 0.88 DPP4 (0.97) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL6166027 0.88 DPP4 (0.97) DPP4DPP8DPP9
SCHEMBL5819186 0.85 DPP4 (0.74) DPP4FAPDPP8DPP9
SCHEMBL5203503 0.85 DPP4 (1.00) DPP4FAPDPP8DPP9
SCHEMBL5819184 0.85 DPP4 (0.74) DPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL5206572 0.84 DPP4 (0.98) DPP4FAPDPP8DPP9

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
EP-1671649-B1 Dipeptidyl peptidase IV inhibitors for treating diabetic patients with sulfonylurea secondary failure TAKEDA PHARMACEUTICAL (JP) 2011-11-23 EP disclosed
US-20070072810-A1 Agent for treating diabetes TAKEDA PHARMACEUTICAL COMPANY, LIMITED 2007-03-29 US disclosed
EP-1671649-A1 REMEDY FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2006-06-21 EP disclosed
US-20060039974-A1 Sustained release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-02-23 US disclosed
EP-1537880-A1 SUSTAINED RELEASE PREPARATION Takeda Pharmaceutical Company Limited (JP) 2005-06-08 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 (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-20070072810-A1 Agent for treating diabetes IAPP, DPP4, GLP1R DPP4 2/4885FAP 202/4885DPP8 7/4885
US-20060039974-A1 Sustained release preparation DPP4, DPP7, DPP3 DPP4 1/4885FAP 27/4885DPP8 5/4885

“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.