SCHEMBL14682289

SCHEMBL14682289

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.55
▸ CTSB P07858 1/20 0.54
▸ OPRM1 P35372 3/20 0.51
▸ OPRD1 P41143 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ GRB2 P62993 1/20 0.44

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
SCHEMBL14673292 0.92 CAPN1 (0.60) CAPN1CTSBOPRM1OPRD1OPRK1
SCHEMBL14673291 0.92 CAPN1 (0.60) CAPN1CTSBOPRM1OPRD1OPRK1
SCHEMBL20477645 0.92 CAPN1 (0.60) CAPN1CTSBOPRM1OPRD1OPRK1
SCHEMBL14728337 0.89 CAPN1 (0.55) CAPN1CTSBOPRM1OPRD1OPRK1
SCHEMBL15576934 0.89 CAPN1 (0.55) CAPN1CTSBOPRM1OPRD1OPRK1
SCHEMBL14682287 0.86 CAPN1 (0.54) CAPN1CTSBOPRM1OPRD1OPRK1
SCHEMBL21549054 0.86 CAPN1 (0.54) CAPN1CTSBOPRM1OPRD1OPRK1
SCHEMBL14673120 0.84 CAPN1 (0.65) CAPN1CTSBOPRM1OPRD1OPRK1
SCHEMBL14673121 0.84 CAPN1 (0.65) CAPN1CTSBOPRM1OPRD1OPRK1
SCHEMBL14682286 0.84 CAPN1 (0.58) CAPN1CTSBOPRM1GRB2

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 4049/4885OPRM1 27/4885
US-20150315237-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A CAPN1 866/4885CTSB 4049/4885OPRM1 27/4885
US-20160368947-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A CAPN1 866/4885CTSB 4049/4885OPRM1 27/4885
US-20130035292-A1 NMDA Receptors Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A CAPN1 902/4885CTSB 4087/4885OPRM1 27/4885

“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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