SCHEMBL5374975

SCHEMBL5374975

N#C[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](CNc2ccccc2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
OPRM1 P35372 1/20 0.64
OPRD1 P41143 1/20 0.64
PREP P48147 1/20 0.61
FAP Q12884 1/20 0.61
DPP8 Q6V1X1 1/20 0.61
DPP9 Q86TI2 1/20 0.61
DPP7 Q9UHL4 1/20 0.61

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
SCHEMBL5374969 1.00 DPP4 (1.00) DPP4OPRM1OPRD1PREPFAP
SCHEMBL5366058 0.90 DPP4 (1.00) DPP4OPRM1OPRD1
SCHEMBL5368160 0.90 DPP4 (0.81) DPP4OPRM1OPRD1
SCHEMBL5366065 0.90 DPP4 (1.00) DPP4OPRM1OPRD1
SCHEMBL5368164 0.90 DPP4 (0.81) DPP4OPRM1OPRD1
SCHEMBL5364316 0.87 DPP4 (0.77) DPP4OPRM1OPRD1
SCHEMBL5364322 0.87 DPP4 (0.77) DPP4OPRM1OPRD1
SCHEMBL5376760 0.86 DPP4 (0.76) DPP4OPRM1OPRD1PREPFAP
SCHEMBL5376757 0.86 DPP4 (0.76) DPP4OPRM1OPRD1PREPFAP
SCHEMBL5376746 0.80 DPP4 (0.67) DPP4OPRM1OPRD1PREPFAP

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-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 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-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885OPRM1 2511/4885OPRD1 1917/4885

“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.