SCHEMBL6733449

SCHEMBL6733449

C[Si](C)(C)CCOCn1nnc2cc(CO)ccc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 9/20 0.39
NPC1 O15118 1/20 0.37
NAMPT P43490 1/20 0.37
MAPT P10636 1/20 0.35
CTNNB1 P35222 3/20 0.34
RPS6KA5 O75582 1/20 0.33
GRM2 Q14416 2/20 0.33

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
SCHEMBL31377182 0.90 NPC1 (0.35) HCAR3NPC1GRM2
SCHEMBL24494651 0.87 HCAR3 (0.37) HCAR3NPC1NAMPTMAPTCTNNB1
SCHEMBL29699167 0.87 HCAR3 (0.37) HCAR3NPC1NAMPTMAPTCTNNB1
SCHEMBL31666996 0.83 POLB (0.41) HCAR3NPC1NAMPTMAPT
SCHEMBL2144514 0.82 NPC1 (0.40) HCAR3NPC1NAMPTMAPT
SCHEMBL19023657 0.82 SLC9A1 (0.39) HCAR3NPC1GRM2
SCHEMBL30991716 0.82 SLC9A1 (0.39) HCAR3NPC1GRM2
SCHEMBL3782203 0.82 DGAT1 (0.42) HCAR3NPC1
SCHEMBL23619038 0.82 HCAR3 (0.38) HCAR3NPC1NAMPT
SCHEMBL6729750 0.79 HCAR3 (0.39) HCAR3NPC1NAMPTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022116998-A1 FUSED HETEROCYCLIC DERIVATIVES AS HBV INHIBITORS Janssen Sciences Ireland Unlimited Company (IE) 2022-06-09 WO disclosed
WO-2022116998-A1 FUSED HETEROCYCLIC DERIVATIVES AS HBV INHIBITORS Janssen Sciences Ireland Unlimited Company (IE) 2022-06-09 WO disclosed
US-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003087063-A1 IMIDAZOLIDINE COMPOUNDS AS CHEMOKINE RECEPTOR MODULATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-23 WO 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 (3 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-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HCAR3 2181/4885NPC1 401/4885NAMPT 657/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HCAR3 2181/4885NPC1 401/4885NAMPT 657/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HCAR3 2181/4885NPC1 401/4885NAMPT 657/4885

“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.