SCHEMBL2679534

SCHEMBL2679534

Cc1ccoc1C(=O)Nc1c(C)cc(N2CCc3ncccc3C2)nc1N1CCC(F)(F)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 7/20 0.51
HDAC6 Q9UBN7 1/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
PTGER4 P35408 1/20 0.38
NAMPT P43490 1/20 0.37
SCN10A Q9Y5Y9 4/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
KCNQ2 O43526 1/20 0.34
KIF18A Q8NI77 2/20 0.34

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
SCHEMBL30794452 1.00 GRM1 (0.51) GRM1HDAC6PDGFRBKDRPTGER4
SCHEMBL30795858 0.90 GRM1 (0.40) GRM1HDAC6PTGER4SCN10AKCNQ2
SCHEMBL2679946 0.90 GRM1 (0.40) GRM1HDAC6PTGER4SCN10AKCNQ2
SCHEMBL2680089 0.87 PTGER4 (0.46) GRM1HDAC6PTGER4SCN10AGRIN2D
SCHEMBL30795847 0.87 PTGER4 (0.46) GRM1HDAC6PTGER4SCN10AGRIN2D
SCHEMBL2679951 0.87 PTGER4 (0.41) GRM1HDAC6PTGER4SCN10AKCNQ2
SCHEMBL2680430 0.87 PTGER4 (0.41) GRM1HDAC6PTGER4NAMPTSCN10A
SCHEMBL30796044 0.87 PTGER4 (0.41) GRM1HDAC6PTGER4NAMPTSCN10A
SCHEMBL30794520 0.87 PTGER4 (0.41) GRM1HDAC6PTGER4SCN10AKCNQ2
SCHEMBL694515 0.87 GRM1 (0.50) GRM1HDAC6PDGFRBKDRNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 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 (1 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-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE KCNQ1, KCNQ2, KCNQ5 GRM1 1529/4885HDAC6 1621/4885PDGFRB 2923/4885

“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.