SCHEMBL6787007

SCHEMBL6787007

CC(CNC(=O)NC1CCCCC1)c1ccc(-c2ccsc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.53
GRIA4 P48058 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
EPHX2 P34913 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
RAB9A P51151 4/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL6788684 0.84 GRIA4 (0.53) GRIA4SMN1; SMN2HPGDSLC6A2SLC6A4
SCHEMBL6783128 0.83 GRIA4 (0.54) GRIA4SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL7209225 0.82 GRIA4 (0.59) GRIA4ALDH1A1OPRM1OPRD1
SCHEMBL6788687 0.82 GRIA4 (0.55) GRIA4CYP2D6LMNA
SCHEMBL6788018 0.81 GRIA4 (0.60) GRIA4ALDH1A1OPRM1OPRD1
SCHEMBL6783132 0.81 GRIA4 (0.56) GRIA4SMN1; SMN2CYP3A4CYP2C19ALDH1A1
SCHEMBL6788859 0.81 GRIA4 (0.54) GRIA4SMN1; SMN2ALDH1A1HPGDSLC6A2
SCHEMBL6789642 0.80 GRIA4 (0.56) GRIA4SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL6788862 0.78 GRIA4 (0.56) GRIA4LMNASLC6A2SLC6A4SLC6A3
SCHEMBL4584209 0.78 GRIA4 (0.63) GRIA4CYP2C19ALDH1A1CYP2D6RAB9A

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 2 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
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 EPHX1 3444/4885GRIA4 16/4885SMN1; SMN2 3065/4885

“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.