SCHEMBL14682297

SCHEMBL14682297

CC(=O)OC[C@H](C)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.46
▸ REN P00797 4/20 0.46
▸ PEPD P12955 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ RAB9A P51151 1/20 0.42
▸ FKBP1A P62942 2/20 0.38

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
SCHEMBL16489899 0.88 PEPD (0.43) ACERENPEPDHSD17B10KDM4E
SCHEMBL15223614 0.85 ACE (0.49) ACERENPEPDHSD17B10KDM4E
SCHEMBL15223626 0.84 ACE (0.48) ACERENPEPDHSD17B10KDM4E
SCHEMBL10556672 0.84 ACE (0.66) ACERENPEPDHSD17B10KDM4E
SCHEMBL10922522 0.84 ACE (0.48) ACERENPEPDHSD17B10KDM4E
SCHEMBL11124849 0.83 ACE (0.68) ACERENPEPDHSD17B10KDM4E
SCHEMBL11124851 0.83 ACE (0.68) ACERENPEPDHSD17B10KDM4E
SCHEMBL7373400 0.82 ACE (0.44) ACERENPEPDHSD17B10KDM4E
SCHEMBL6788979 0.82 ACE (0.44) ACERENPEPDHSD17B10KDM4E
SCHEMBL14682292 0.82 ACE (0.67) ACERENPEPDHSD17B10KDM4E

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 ACE 1738/4885REN 1174/4885PEPD 1952/4885
US-20150315237-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A ACE 1738/4885REN 1174/4885PEPD 1952/4885
US-20160368947-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A ACE 1738/4885REN 1174/4885PEPD 1952/4885
US-20130035292-A1 NMDA Receptors Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A ACE 1712/4885REN 1145/4885PEPD 1983/4885

“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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