SCHEMBL2368039

SCHEMBL2368039

Cc1c(C(=O)O)nnn1Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
P2RY14 Q15391 1/20 0.48
GRM2 Q14416 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CES2 O00748 2/20 0.46
PTGER4 P35408 2/20 0.44
KLKB1 P03952 1/20 0.44
CYP19A1 P11511 2/20 0.44
HTT P42858 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL2367651 0.86 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL15924512 0.85 CYP19A1 (0.56) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL795210 0.84 HPGD (0.68) HPGDSMN1; SMN2KLKB1CYP19A1HTT
SCHEMBL2367593 0.84 HPGD (0.53) HPGDLMNASMN1; SMN2P2RY14NPC1
SCHEMBL2368342 0.83 POLB (0.53) ALDH1A1HPGDSMN1; SMN2P2RY14PTGER4
SCHEMBL2368399 0.83 PTGER4 (0.52) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL3757295 0.82 NPC1 (0.57) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL2368252 0.80 NPC1 (0.55) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL2367943 0.80 NPC1 (0.55) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL2367822 0.80 NPC1 (0.52) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316041-B2 Spiro-lactam NMDA receptor modulators and uses thereof APTINYX INC. (US) 2019-06-11 US disclosed
US-20180127430-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2018-05-10 US disclosed
US-9708335-B2 Spiro-lactam NMDA receptor modulators and uses thereof Apytinyx Inc. (US) 2017-07-18 US disclosed
EP-2951185-B1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2016-12-21 EP disclosed
US-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (HK) 2015-12-24 US disclosed
US-9051281-B2 Compounds GLAXOSMITHKLINE LLC (US) 2015-06-09 US disclosed
US-9051281-B2 Compounds GLAXOSMITHKLINE LLC (US) 2015-06-09 US disclosed
US-9051281-B2 Compounds GLAXOSMITHKLINE LLC (US) 2015-06-09 US disclosed
EP-2368887-B1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-02-26 EP disclosed
EP-2368887-B1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-02-26 EP disclosed
US-20130281499-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2013-10-24 US disclosed
US-8486977-B2 1,2,3-triazole derivatives for use as stearoyl-CoA desaturase inhibitors GLAXOSMITHKLINE LLC (US) 2013-07-16 US disclosed
US-8486977-B2 1,2,3-triazole derivatives for use as stearoyl-CoA desaturase inhibitors GLAXOSMITHKLINE LLC (US) 2013-07-16 US disclosed
US-8486977-B2 1,2,3-triazole derivatives for use as stearoyl-CoA desaturase inhibitors GLAXOSMITHKLINE LLC (US) 2013-07-16 US disclosed
EP-2368887-A1 1, 2, 3-triazole derivatives for use as stearoyl-COA desaturase inhibitors Glaxosmithkline LLC (US) 2011-09-28 EP disclosed
EP-2368887-A1 1, 2, 3-triazole derivatives for use as stearoyl-COA desaturase inhibitors Glaxosmithkline LLC (US) 2011-09-28 EP disclosed
US-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
US-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
US-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
WO-2009060053-A1 1, 2, 3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO 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-10316041-B2 Spiro-lactam NMDA receptor modulators and uses thereof GRIN1, GRIN2A, GRIN3A KDM4E 2649/4885ALDH1A1 2288/4885HSD17B10 2431/4885
US-20180127430-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A KDM4E 2649/4885ALDH1A1 2288/4885HSD17B10 2431/4885
US-20150368254-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A KDM4E 2649/4885ALDH1A1 2288/4885HSD17B10 2431/4885
US-20100297054-A1 1,2,3-TRIAZOLE DERIVATIVES FOR USE AS STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, FASN KDM4E 1105/4885ALDH1A1 633/4885HSD17B10 40/4885
US-20130281499-A1 COMPOUNDS CYP11B2, SCD, CYP11B1 KDM4E 2822/4885ALDH1A1 635/4885HSD17B10 108/4885

“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.