SCHEMBL13352183

SCHEMBL13352183

C[C@@H]1CCc2cc(Br)cnc2NC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.32
SLC6A4 P31645 1/20 0.31
CHRNA7 P36544 1/20 0.31
GRM5 P41594 1/20 0.31
AKR1B1 P15121 1/20 0.30

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
SCHEMBL13352184 1.00 NNMT (0.32) NNMTSLC6A4CHRNA7GRM5AKR1B1
SCHEMBL23532202 0.81 NNMT (0.32) NNMTGRM5
SCHEMBL34463413 0.78 NNMT (0.40) NNMTAKR1B1
SCHEMBL17018037 0.78 NNMT (0.40) NNMTAKR1B1
SCHEMBL2843130 0.75 PNMT (0.44) NNMT
SCHEMBL2843135 0.75 PNMT (0.44) NNMT
SCHEMBL2845174 0.75 PNMT (0.44) NNMT
SCHEMBL298258 0.74 NNMT (0.53) NNMTGRM5
SCHEMBL24823955 0.74 AKR1B1 (0.42) NNMTAKR1B1
SCHEMBL15436159 0.74 GRM5 (0.31) GRM5

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-8318720-B2 Acrylamide derivatives as Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-11-27 US disclosed
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2010-05-27 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-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC NNMT 2932/4885SLC6A4 3186/4885CHRNA7 4511/4885

“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.