SCHEMBL4922422

SCHEMBL4922422

O=C(O)N[C@@H](CC(=O)N1CC[C@H](NC(=O)c2ccccc2)C1)Cc1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
DPP4 P27487 2/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
KDM5A P29375 3/20 0.42
C3AR1 Q16581 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4923425 1.00 PKM (0.46) PKMDPP4DRD2DRD4NPSR1
SCHEMBL4923075 0.89 KDM5B (0.43) KDM5AC3AR1KMT2A
SCHEMBL8481377 0.88 SCN9A (0.44) PKMCTSKMEN1KMT2A
SCHEMBL14006971 0.88 SCN9A (0.44) PKMCTSKMEN1KMT2A
SCHEMBL8475625 0.86 DPP4 (0.59) DPP4
SCHEMBL8474457 0.86 DPP4 (0.59) DPP4
Trifluoroacetic Acid SCHEMBL4920401 0.82 DPP4 (0.55) DPP4
Trifluoroacetic Acid SCHEMBL4924275 0.82 DPP4 (0.55) DPP4
SCHEMBL4926818 0.81 PKM (0.44) PKMDPP4DRD2DRD4NPSR1
SCHEMBL4914073 0.81 PKM (0.44) PKMDPP4DRD2DRD4NPSR1

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-20080275086-A1 Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-11-06 US disclosed
EP-1702916-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-09-20 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 (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-20080275086-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 PKM 827/4885DPP4 1/4885DRD2 970/4885

“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.