SCHEMBL14728356

SCHEMBL14728356

CC(=O)[C@@H](NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)[C@@H](N)CO)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.58
▸ CTSB P07858 3/20 0.57
▸ XIAP P98170 1/20 0.45
▸ OPRM1 P35372 2/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ ELANE P08246 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ CALCRL Q16602 1/20 0.39

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
SCHEMBL16994620 1.00 CAPN1 (0.58) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL14673120 0.93 CAPN1 (0.65) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL16488740 0.93 CAPN1 (0.65) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL18626009 0.93 CAPN1 (0.65) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL14673121 0.93 CAPN1 (0.65) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL19501058 0.89 CAPN1 (0.54) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL7202436 0.89 CAPN1 (0.59) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL7202432 0.89 CAPN1 (0.59) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL27559117 0.89 CAPN1 (0.59) CAPN1CTSBXIAPOPRM1SLC6A2
SCHEMBL24171144 0.87 CAPN1 (0.51) CAPN1CTSBXIAPOPRM1SLC6A2

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-9593145-B2 Secondary structure stabilized NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2017-03-14 — — US disclosed
US-20160368947-A1 NMDA Receptor Modulators and Uses Thereof INNOVIVA TRC HOLDINGS LLC 2016-12-22 — — US disclosed
US-20160115197-A1 SECONDARY STRUCTURE STABILIZED NMDA RECEPTOR MODULATORS AND USES THEREOF INNOVIVA TRC HOLDINGS LLC 2016-04-28 — — US disclosed
US-9101612-B2 Secondary structure stabilized NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2015-08-11 — — US disclosed
US-20130053325-A1 Secondary Structure Stabilized NMDA Receptor Modulators and Uses Thereof INNOVIVA TRC HOLDINGS LLC 2013-02-28 — — 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 (3 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-20130053325-A1 Secondary Structure Stabilized NMDA Receptor Modulators and Uses Thereof GRIN2A, GRIN1, GRIN3A CAPN1 1536/4885CTSB 4297/4885XIAP 2571/4885
US-20160368947-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A CAPN1 866/4885CTSB 4049/4885XIAP 2796/4885
US-20160115197-A1 SECONDARY STRUCTURE STABILIZED NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2A, GRIN1, GRIN3A CAPN1 1536/4885CTSB 4297/4885XIAP 2571/4885

“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.

Send feedback