SCHEMBL14672906

SCHEMBL14672906

COC(=O)[C@@H](NC(=O)C1CCCN1C(=O)O)[C@@H](C)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 7/20 0.41
▸ XIAP P98170 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ CAPN1 P07384 2/20 0.39
▸ CTSB P07858 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ CTRB1 P17538 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL22127789 0.90 TSHR (0.48) ELANEXIAPRAB9AITGB1ITGA4
SCHEMBL22127786 0.90 TSHR (0.48) ELANEXIAPRAB9AITGB1ITGA4
SCHEMBL19138290 0.85 CAPN1 (0.51) ELANEXIAPCAPN1CTSBPOLB
SCHEMBL19138358 0.85 CAPN1 (0.51) ELANEXIAPCAPN1CTSBPOLB
SCHEMBL19138289 0.85 CAPN1 (0.51) ELANEXIAPCAPN1CTSBPOLB
SCHEMBL20993806 0.84 POLB (0.53) POLB
SCHEMBL16529713 0.81 ACE (0.44) XIAPRAB9ATSHRCYP2C19
SCHEMBL19138322 0.81 CAPN1 (0.57) ELANEXIAPCAPN1CTSB
SCHEMBL19138298 0.81 CAPN1 (0.57) ELANEXIAPCAPN1CTSB
SCHEMBL19138297 0.81 CAPN1 (0.57) ELANEXIAPCAPN1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180325893-A1 SUBACUTE ADMINISTRATION OF NMDA MODULATORS ALONE OR IN COMBINATION UNIV NORTHWESTERN (US) 2018-11-15 — — US disclosed
US-20180237474-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF INNOVIVA TRC HOLDINGS LLC 2018-08-23 — — 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 (5 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 ELANE 3416/4885XIAP 2796/4885RAB9A 2220/4885
US-20150315237-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A ELANE 3416/4885XIAP 2796/4885RAB9A 2220/4885
US-20180325893-A1 SUBACUTE ADMINISTRATION OF NMDA MODULATORS ALONE OR IN COMBINATION GRIN2A, GRIN2D, GRIN1 ELANE 4611/4885XIAP 2606/4885RAB9A 2032/4885
US-20180237474-A1 NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A ELANE 3416/4885XIAP 2796/4885RAB9A 2220/4885
US-20130035292-A1 NMDA Receptors Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A ELANE 3293/4885XIAP 2736/4885RAB9A 2239/4885

“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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