SCHEMBL798775

SCHEMBL798775

CC(C)CC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.58
SORT1 Q99523 1/20 0.58
SLC6A2 P23975 7/20 0.53
SLC6A3 Q01959 6/20 0.53
SLC6A4 P31645 5/20 0.53
CHRNA1 P02708 4/20 0.53
CHRNG P07510 4/20 0.53
CHRNB1 P11230 4/20 0.53
CHRNB2 P17787 4/20 0.53
CHRNB4 P30926 4/20 0.53
CHRNA3 P32297 4/20 0.53
CHRNA4 P43681 4/20 0.53
CHRND Q07001 4/20 0.53
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 2/20 0.45
ITGA5 P08648 1/20 0.45
HRH1 P35367 1/20 0.45
CHRNA7 P36544 1/20 0.45

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
SCHEMBL634229 0.86 SLC6A3 (0.52) GRNSORT1SLC6A2SLC6A3SLC6A4
SCHEMBL769423 0.83 SLC6A4 (0.52) GRNSORT1SLC6A2SLC6A3SLC6A4
SCHEMBL31061196 0.83 SLC6A4 (0.52) GRNSORT1SLC6A2SLC6A3SLC6A4
SCHEMBL13151517 0.82 SLC6A2 (0.68) GRNSORT1SLC6A2SLC6A3SLC6A4
SCHEMBL770039 0.81 SLC6A3 (0.78) GRNSORT1SLC6A2SLC6A3SLC6A4
SCHEMBL23791807 0.75 GRN (0.54) GRNSORT1SLC6A2SLC6A3SLC6A4
SCHEMBL24283484 0.73 GRN (1.00) GRNSORT1HPGDKDM4ECYP2C19
SCHEMBL24283486 0.73 GRN (1.00) GRNSORT1HPGDKDM4ECYP2C19
SCHEMBL3676913 0.73 TSHR (0.52) GRNSORT1SLC6A2SLC6A3SLC6A4
SCHEMBL728108 0.73 TSHR (0.52) GRNSORT1SLC6A2SLC6A3SLC6A4

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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 GRN 991/4885SORT1 1086/4885SLC6A2 1/4885

“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.