SCHEMBL6803884

SCHEMBL6803884

COC(=O)c1ccc(N(C)C)cc1-c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRA1 P14867 1/20 0.48
MAPT P10636 3/20 0.47
CYP46A1 Q9Y6A2 1/20 0.47
ALDH1A1 P00352 6/20 0.43
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 3/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 3/20 0.43

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
SCHEMBL6642121 0.87 SLC6A3 (0.60) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL8180022 0.84 CYP46A1 (0.58) MAPTCYP46A1ALDH1A1SLC6A3SLC6A4
SCHEMBL6803026 0.83 CFTR (0.51) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL6804716 0.83 MCL1 (0.46) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9423312 0.80 TDP1 (0.59) MAPTCYP46A1ALDH1A1SLC6A3SLC6A4
SCHEMBL30571934 0.80 TDP1 (0.59) MAPTCYP46A1ALDH1A1SLC6A3SLC6A4
SCHEMBL8762164 0.77 CA12 (0.47) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL18015088 0.76 KDM4E (0.47) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL30966775 0.76 KDM4E (0.47) GABRG2GABRB3GABRA3GABRA2GABRA1
SCHEMBL5535848 0.76 SLC6A3 (0.65) MAPTCYP46A1ALDH1A1SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 GABRG2 3902/4885GABRB3 2730/4885GABRA3 3500/4885

“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.