SCHEMBL847403

SCHEMBL847403

CCOC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KDM4E B2RXH2 1/20 0.64
LMNA P02545 1/20 0.64
PREP P48147 3/20 0.62
FKBP1A P62942 3/20 0.61
KLK7 P49862 1/20 0.61
KLK5 Q9Y337 1/20 0.61
GFER P55789 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
CTRB1 P17538 1/20 0.57
PRCP P42785 1/20 0.57

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
SCHEMBL14893288 1.00 TSHR (0.64) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL5764209 0.96 FKBP1A (0.66) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL8280028 0.96 FKBP1A (0.66) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL16272917 0.92 FKBP1A (0.66) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL7326760 0.92 FKBP1A (0.66) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL19360224 0.91 TSHR (0.59) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL7414787 0.89 TSHR (0.60) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL4724457 0.89 PREP (0.67) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL630112 0.89 PREP (0.67) TSHRL3MBTL1KDM4ELMNAPREP
SCHEMBL5525089 0.89 PREP (0.67) TSHRL3MBTL1KDM4ELMNAPREP

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135862-A1 NDMA RECEPTOR MODULATORS AND USES THEREOF INNOVIVA TRC HOLDINGS LLC 2019-05-09 US disclosed
US-10273239-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2019-04-30 US disclosed
EP-2771021-B1 NMDA RECEPTOR MODULATORS AND USES THEREOF NORTH WESTERN UNIV (US) 2018-08-29 EP disclosed
US-20180179217-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-06-28 US disclosed
US-9758525-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2017-09-12 US disclosed
US-20160368947-A1 NMDA Receptor Modulators and Uses Thereof INNOVIVA TRC HOLDINGS LLC 2016-12-22 US disclosed
US-20160368947-A1 NMDA Receptor Modulators and Uses Thereof INNOVIVA TRC HOLDINGS LLC 2016-12-22 US disclosed
US-20150368253-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-24 US disclosed
US-20150315237-A1 NMDA Receptor Modulators and Uses Thereof NORTHWESTERN UNIVERSITY 2015-11-05 US disclosed
US-20150315237-A1 NMDA Receptor Modulators and Uses Thereof NORTHWESTERN UNIVERSITY 2015-11-05 US disclosed
US-20130035292-A1 NMDA Receptors Modulators and Uses Thereof INNOVIVA TRC HOLDINGS LLC 2013-02-07 US disclosed
US-8143249-B2 Prodrugs of A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-8143249-B2 Prodrugs of A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
WO-2011091407-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLP (US) 2011-07-28 WO disclosed
US-20110160162-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-06-30 US disclosed
US-20110160162-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-06-30 US disclosed
US-20100056538-A1 Pro-drugs of A2B Adenosine Receptor Antagonists GILEAD PALO ALTO, INC. (US) 2010-03-04 US disclosed
US-20100056538-A1 Pro-drugs of A2B Adenosine Receptor Antagonists GILEAD PALO ALTO, INC. (US) 2010-03-04 US disclosed
US-7625881-B2 Prodrugs of A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2009-12-01 US disclosed
US-7625881-B2 Prodrugs of A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2009-12-01 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 (9 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-20190135862-A1 NDMA RECEPTOR MODULATORS AND USES THEREOF OPRL1, GRIN2A, GRM1 TSHR 3202/4885L3MBTL1 2154/4885KDM4E 2150/4885
US-20150368253-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A TSHR 1558/4885L3MBTL1 4477/4885KDM4E 2649/4885
US-20110160162-A1 PRODRUGS OF A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 TSHR 214/4885L3MBTL1 1074/4885KDM4E 4139/4885
US-20150315237-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A TSHR 3329/4885L3MBTL1 2432/4885KDM4E 1522/4885
US-20100056538-A1 Pro-drugs of A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 TSHR 329/4885L3MBTL1 1685/4885KDM4E 4391/4885
US-10273239-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A TSHR 1558/4885L3MBTL1 4477/4885KDM4E 2649/4885
US-20180179217-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A TSHR 1558/4885L3MBTL1 4477/4885KDM4E 2649/4885
US-20160368947-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A TSHR 3329/4885L3MBTL1 2432/4885KDM4E 1522/4885
US-20130035292-A1 NMDA Receptors Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A TSHR 3242/4885L3MBTL1 2493/4885KDM4E 1567/4885

“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.