SCHEMBL17541121

SCHEMBL17541121

CCOC(=O)c1cc(Cl)c2c(n1)CN(C(=O)OC(C)(C)C)[C@H](C)C2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ P2RX7 Q99572 8/20 0.35
▸ ADORA1 P30542 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33

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
SCHEMBL19470792 1.00 NR1H2 (0.37) NR1H2NR1H3TP53POLBMEN1
SCHEMBL17551254 1.00 NR1H2 (0.37) NR1H2NR1H3TP53POLBMEN1
SCHEMBL17551377 0.80 ADORA1 (0.50) NR1H2TP53POLBMEN1KMT2A
SCHEMBL23198540 0.78 ADORA1 (0.48) NR1H2TP53POLBMEN1KMT2A
SCHEMBL16034386 0.74 P2RX7 (0.42) P2RX7
SCHEMBL29110072 0.74 KDM4E (0.42) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL30685094 0.74 KDM4E (0.42) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL17541129 0.73 CYP1A2 (0.38) KMT2AALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL31699755 0.72 ADORA1 (0.36) TP53POLBMEN1KMT2AALDH1A1
SCHEMBL31700143 0.72 ADORA1 (0.36) TP53POLBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3185865-B1 TETRAHYDRONAPTHTYRIDINE DERIVATIVES AS MGLUR2 NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE. MERCK SHARP & DOHME (US) 2020-07-15 — — EP disclosed
EP-3185865-B1 TETRAHYDRONAPTHTYRIDINE DERIVATIVES AS MGLUR2 NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE. MERCK SHARP & DOHME (US) 2020-07-15 — — EP disclosed
US-10072003-B2 Tetrahydronaphthyridine derivatives as mGluR2-negative allosteric modulators, compositions, and their use MERCK SHARP & DOHME CORP. 2018-09-11 — — US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
EP-3185865-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2017-07-05 — — EP disclosed
WO-2016032921-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 — — WO disclosed
WO-2016029454-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 — — WO disclosed
WO-2016032921-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 — — 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 (2 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-10072003-B2 Tetrahydronaphthyridine derivatives as mGluR2-negative allosteric modulators, compositions, and their use GRIN2A, GRIN2C, GRIN2B NR1H2 96/4885NR1H3 126/4885TP53 4828/4885
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIN2C, GRIN2B NR1H2 96/4885NR1H3 126/4885TP53 4828/4885

“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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