SCHEMBL11901718

SCHEMBL11901718

CCOC(=O)C(N/C=C/C#N)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 7/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL13911904 1.00 CYP2C9 (0.38) CYP2C9HTTLMNAALDH1A1TSHR
SCHEMBL11901721 1.00 CYP2C9 (0.38) CYP2C9HTTLMNAALDH1A1TSHR
SCHEMBL2572352 0.77 ALDH1A1 (0.38) CYP2C9HTTLMNAALDH1A1TSHR
SCHEMBL2572768 0.76 CA12 (0.37) CYP2C9HTTLMNAALDH1A1TSHR
SCHEMBL12682934 0.76 CA12 (0.38) CYP2C9LMNAALDH1A1GAAMGAM
SCHEMBL16487170 0.74 MGAM (0.37) CYP2C9LMNAALDH1A1GAAMGAM
SCHEMBL837941 0.72 MGAM (0.42) CYP2C9LMNAALDH1A1GAAMGAM
SCHEMBL8562716 0.71 SMN1; SMN2 (0.48) CYP2C9ALDH1A1TSHRGAAMGAM
SCHEMBL2566491 0.71 ALDH1A1 (0.33) CYP2C9ALDH1A1TSHRGAAL3MBTL1
SCHEMBL16532654 0.70 ALDH1A1 (0.37) CYP2C9HTTLMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2024-12-10 US disclosed
US-20230192702-A1 PROCESS FOR THE PREPARATION OF VERDIPERSTAT BIOHAVEN THERAPEUTICS LTD (US) 2023-06-22 US disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 US disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 US disclosed
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2021-04-15 US disclosed
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2021-04-15 US disclosed
EP-3386591-B1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF CADENT THERAPEUTICS INC (US) 2020-06-24 EP disclosed
EP-3386591-B1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF CADENT THERAPEUTICS INC (US) 2020-06-24 EP disclosed
EP-3386591-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF Cadent Therapeutics, Inc. (US) 2018-10-17 EP disclosed
WO-2017100591-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF LUC THERAPEUTICS (US) 2017-06-15 WO disclosed
WO-2017100591-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF LUC THERAPEUTICS (US) 2017-06-15 WO disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors HOCHGURTEL MATTHIAS 2008-09-11 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 (7 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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 CYP2C9 887/4885HTT 4398/4885LMNA 1066/4885
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 CYP2C9 2214/4885HTT 542/4885LMNA 4824/4885
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 CYP2C9 2214/4885HTT 542/4885LMNA 4824/4885
US-20080221083-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 CYP2C9 554/4885HTT 2258/4885LMNA 2478/4885
US-20230192702-A1 PROCESS FOR THE PREPARATION OF VERDIPERSTAT GNPAT, DDT, AASDHPPT CYP2C9 261/4885HTT 553/4885LMNA 2376/4885
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 CYP2C9 2214/4885HTT 542/4885LMNA 4824/4885
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 CYP2C9 2214/4885HTT 542/4885LMNA 4824/4885

“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.