SCHEMBL17540977

SCHEMBL17540977

CC1(C)CC(C#N)(O[Si](C)(C)C)CO1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL17541096 0.81 ALDH1A1 (0.41) ALDH1A1
SCHEMBL19459155 0.73
SCHEMBL23364740 0.71
SCHEMBL26410062 0.69
SCHEMBL1611506 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL842418 0.69
SCHEMBL491578 0.67 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4127530 0.67 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5459307 0.67 ALDH1A1 (0.36) ALDH1A1
SCHEMBL893486 0.67

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
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
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

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 ALDH1A1 4527/4885
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIN2C, GRIN2B ALDH1A1 4527/4885

“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.