SCHEMBL6812673

SCHEMBL6812673

Cc1cccc(-c2c[nH]c(CN(C)C(=O)OC(C)(C)C)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1C Q13936 1/20 0.42
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
XDH P47989 1/20 0.38
KMO O15229 2/20 0.37
GRIN2B Q13224 1/20 0.36
GRK6 P43250 1/20 0.35
HSD17B2 P37059 3/20 0.35
HSD17B1 P14061 2/20 0.35
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLS O94925 1/20 0.35
PIN1 Q13526 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
MAPT P10636 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
PAX8 Q06710 1/20 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
SCHEMBL1929153 0.86 HTR2C (0.42) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL20469229 0.82 CACNA1G (0.41) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL1928811 0.77 NOX1 (0.39) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL20456732 0.77 CACNA1G (0.38) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL1928525 0.75 HDAC3 (0.45) HTR2CSLC6A4ALDH1A1PIN1MAPT
SCHEMBL14426297 0.74 HSP90AA1 (0.49) HTR2CSLC6A4HSD17B2HSD17B1GLS
SCHEMBL30264842 0.74 HSP90AA1 (0.49) HTR2CSLC6A4HSD17B2HSD17B1GLS
SCHEMBL11047726 0.72 IDO1 (0.45) XDHKMOGRK6PIN1IDO1
SCHEMBL1927829 0.71 CACNA1G (0.47) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL16186538 0.71 CACNA1G (0.54) CACNA1GCACNA1BCACNA1CALDH1A1PIN1

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-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-08 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-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 CACNA1G 865/4885CACNA1B 509/4885CACNA1C 925/4885

“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.