SCHEMBL2209257

SCHEMBL2209257

CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3ncccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ GBA1 P04062 2/20 0.54
▸ DTYMK P23919 1/20 0.48
▸ KIT P10721 2/20 0.47
▸ TRPA1 O75762 3/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ CKS1B P61024 2/20 0.46
▸ SKP1 P63208 2/20 0.46
▸ SKP2 Q13309 2/20 0.46
▸ GPR119 Q8TDV5 2/20 0.46
▸ ACHE P22303 2/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ GRIA1 P42261 1/20 0.43
▸ TLR9 Q9NR96 2/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.42

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
SCHEMBL2533854 0.84 GBA1 (0.67) POLBGBA1KITCKS1BSKP1
SCHEMBL2801008 0.83 KIT (0.59) POLBGBA1DTYMKKITTRPA1
SCHEMBL23107933 0.82 GBA1 (0.58) POLBGBA1DTYMKKITTRPA1
SCHEMBL19805095 0.81 DTYMK (0.49) POLBGBA1DTYMKKITTRPA1
SCHEMBL17614475 0.81 POLB (0.50) POLBDTYMKGPR119CNR1CNR2
SCHEMBL5484112 0.80 GBA1 (0.63) POLBGBA1KITCKS1BSKP1
SCHEMBL21196107 0.80 POLB (0.52) POLBGBA1KITCKS1BSKP1
SCHEMBL2421627 0.80 TRPA1 (0.68) POLBTRPA1TRPV1GPR119
SCHEMBL16908185 0.79 GBA1 (0.60) POLBGBA1KITCKS1BSKP1
SCHEMBL16711572 0.77 DTYMK (0.49) POLBGBA1DTYMKKITCKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-09-22 — — US disclosed
US-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 — — US disclosed
US-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 — — US disclosed
US-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 — — US disclosed
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 — — US disclosed
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 — — US disclosed
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 — — US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 — — US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 — — US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 — — US disclosed
US-20040142945-A1 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 — — US disclosed
WO-2004043367-A2 FUSED HETEROCYCLIC COMPOUNDS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 — — 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-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF MCL1, FPR1, LTC4S POLB 3077/4885GBA1 823/4885DTYMK 1314/4885
US-20040142945-A1 Fused heterocyclic compounds and use thereof MCL1, NFATC1, BCR POLB 2935/4885GBA1 506/4885DTYMK 1254/4885
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R POLB 3061/4885GBA1 901/4885DTYMK 1452/4885

“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.

Send feedback