SCHEMBL29840403

SCHEMBL29840403

CN(C(=O)OC(C)(C)C)C1CCc2nc(Br)sc2C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
SCN4A P35499 1/20 0.35
PDK1 Q15118 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD11B1 P28845 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SPR P35270 1/20 0.33
ASGR1 P07306 1/20 0.33
TP53 P04637 4/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL3310859 0.86 DRD2 (0.36) DRD2DRD3SCN4APDK1NPC1
SCHEMBL1504035 0.84 DRD2 (0.34) DRD2DRD3SCN4APDK1NPC1
Lithium Ion SCHEMBL1504034 0.83 DRD2 (0.34) DRD2DRD3SCN4APDK1NPC1
SCHEMBL23306017 0.83 DRD2 (0.40) DRD2DRD3SCN4APDK1NPC1
SCHEMBL31564424 0.79 PNMT (0.35) DRD2HSD11B1ASGR1
SCHEMBL31137593 0.79 ASGR1 (0.36) SCN4AHSD11B1SPRASGR1
SCHEMBL31564369 0.78 HSD11B1 (0.34) SMN1; SMN2HSD11B1SPRASGR1MAPT
SCHEMBL31564441 0.75 HSD11B1 (0.36) HSD11B1SPRASGR1
SCHEMBL31563956 0.75 HSD11B1 (0.34) HSD11B1ASGR1
SCHEMBL31564374 0.75 HSD11B1 (0.34) DRD2DRD3HSD11B1ASGR1

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-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS SYNGENE INTERNATIONAL LIMITED (IN) 2023-04-20 US disclosed
EP-4051388-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS Bristol-Myers Squibb Company (US) 2022-09-07 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-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS TLR1, TLR3, TLR9 DRD2 2381/4885DRD3 1892/4885SCN4A 2657/4885

“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.