SCHEMBL22694656

SCHEMBL22694656

CCCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)[C@@H](CC)C(=O)N[C@H](C(N)=O)[C@@H](C)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.41
▸ DPP4 P27487 6/20 0.41
▸ DPP7 Q9UHL4 3/20 0.41
▸ PREP P48147 1/20 0.41
▸ CTSB P07858 3/20 0.39
▸ FAP Q12884 2/20 0.37
▸ DPP8 Q6V1X1 2/20 0.37
▸ DPP9 Q86TI2 2/20 0.37
▸ XIAP P98170 1/20 0.35
▸ REN P00797 1/20 0.33

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
SCHEMBL21575909 0.92 CAPN1 (0.41) CAPN1DPP4DPP7PREPCTSB
SCHEMBL22148189 0.81 DPP4 (0.40) CAPN1DPP4DPP7PREPCTSB
SCHEMBL24222578 0.77 CAPN1 (0.46) CAPN1DPP4DPP7PREPCTSB
SCHEMBL21103618 0.77 CAPN1 (0.46) CAPN1DPP4DPP7PREPCTSB
SCHEMBL20693249 0.77 CAPN1 (0.46) CAPN1DPP4DPP7PREPCTSB
SCHEMBL28478640 0.76 CAPN1 (0.53) CAPN1DPP4DPP7PREPCTSB
SCHEMBL28478644 0.76 CAPN1 (0.53) CAPN1DPP4DPP7PREPCTSB
Rapastinel SCHEMBL23859842 0.73 CAPN1 (0.59) CAPN1DPP4DPP7PREPCTSB
Rapastinel SCHEMBL23859841 0.73 CAPN1 (0.59) CAPN1DPP4DPP7PREPCTSB
Rapastinel SCHEMBL25266713 0.73 CAPN1 (0.59) CAPN1DPP4DPP7PREPCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200368310-A1 TREATMENT WITH NMDA RECEPTOR MODULATORS INNOVIVA TRC HOLDINGS LLC 2020-11-26 — — 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-20200368310-A1 TREATMENT WITH NMDA RECEPTOR MODULATORS GRIN2A, GRIN1, GRIN2B CAPN1 1148/4885DPP4 2825/4885DPP7 2827/4885

“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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