SCHEMBL6787548

SCHEMBL6787548

CC(CN(C(=O)O)C(C)C)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51
F2R P25116 1/20 0.50
MMP2 P08253 8/20 0.46
MMP3 P08254 6/20 0.46
MMP13 P45452 6/20 0.46
MMP1 P03956 4/20 0.46
MMP7 P09237 4/20 0.46
MMP9 P14780 4/20 0.46
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MMP12 P39900 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6783646 0.82 GRIA2 (0.50) GRIA1GRIA2GRIA3GRIA4F2R
SCHEMBL6783173 0.82 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4F2R
SCHEMBL6787675 0.81 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4F2R
SCHEMBL22338812 0.72 FFAR1 (0.68) GRIA1GRIA2GRIA3GRIA4F2R
SCHEMBL21274644 0.72 FFAR1 (0.68) GRIA1GRIA2GRIA3GRIA4F2R
SCHEMBL9435111 0.72 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4MMP2
SCHEMBL17533967 0.72 MAPT (0.44) F2RALDH1A1KDM4EGAAMAPT
SCHEMBL6783525 0.71 ACACB (0.58) GRIA1GRIA2GRIA3GRIA4F2R
SCHEMBL6787677 0.71 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4F2R
SCHEMBL27864068 0.70 KDM4E (0.49) GRIA1GRIA2GRIA3GRIA4F2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097499-A1 Amide, carbamate, and urea derivatives ARNOLD MACKLIN BRIAN (US) 2004-05-20 US disclosed
US-6617351-B1 Amide, carbamate, and urea derivatives ELI LILLY AND COMPANY 2003-09-09 US disclosed
WO-2000006156-A1 AMIDE, CARBAMATE, AND UREA DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 EP 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-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 GRIA1 30/4885GRIA2 25/4885GRIA3 19/4885

“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.