SCHEMBL14682287

SCHEMBL14682287

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.54
▸ CTSB P07858 3/20 0.54
▸ GRB2 P62993 1/20 0.49
▸ OPRM1 P35372 2/20 0.46
▸ DPP4 P27487 1/20 0.44
▸ PREP P48147 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.44
▸ XIAP P98170 1/20 0.44
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL21549054 1.00 CAPN1 (0.54) CAPN1CTSBGRB2OPRM1DPP4
SCHEMBL20958599 0.91 CAPN1 (0.64) CAPN1CTSBGRB2OPRM1DPP4
SCHEMBL14672865 0.91 CAPN1 (0.64) CAPN1CTSBGRB2OPRM1DPP4
SCHEMBL14682322 0.91 CAPN1 (0.64) CAPN1CTSBGRB2OPRM1DPP4
SCHEMBL14672864 0.91 CAPN1 (0.64) CAPN1CTSBGRB2OPRM1DPP4
SCHEMBL14728349 0.87 CAPN1 (0.57) CAPN1CTSBGRB2OPRM1DPP4
SCHEMBL14682289 0.86 CAPN1 (0.55) CAPN1CTSBGRB2OPRM1OPRD1
Rapastinel SCHEMBL23859842 0.85 CAPN1 (0.59) CAPN1CTSBGRB2OPRM1DPP4
Rapastinel SCHEMBL23753673 0.85 CAPN1 (0.59) CAPN1CTSBGRB2OPRM1DPP4
Rapastinel SCHEMBL21549060 0.85 CAPN1 (0.59) CAPN1CTSBGRB2OPRM1DPP4

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
US-20160368947-A1 NMDA Receptor Modulators and Uses Thereof INNOVIVA TRC HOLDINGS LLC 2016-12-22 — — US disclosed
US-20150315237-A1 NMDA Receptor Modulators and Uses Thereof NORTHWESTERN UNIVERSITY 2015-11-05 — — US disclosed
US-20150051262-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2015-02-19 — — US disclosed
US-8673843-B2 NMDA receptors modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2014-03-18 — — US disclosed
US-20130035292-A1 NMDA Receptors Modulators and Uses Thereof INNOVIVA TRC HOLDINGS LLC 2013-02-07 — — 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 (4 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-20150051262-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A CAPN1 866/4885CTSB 4049/4885GRB2 2341/4885
US-20150315237-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A CAPN1 866/4885CTSB 4049/4885GRB2 2341/4885
US-20160368947-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A CAPN1 866/4885CTSB 4049/4885GRB2 2341/4885
US-20130035292-A1 NMDA Receptors Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A CAPN1 902/4885CTSB 4087/4885GRB2 2324/4885

“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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