SCHEMBL1855447

SCHEMBL1855447

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(CC(=O)O)CN2c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 15/20 0.70
OPRM1 P35372 1/20 0.58
OPRK1 P41145 1/20 0.58
BDKRB2 P30411 1/20 0.58
DDR1 Q08345 3/20 0.54

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
SCHEMBL8897218 0.92 NPC1L1 (0.60) NPC1L1OPRM1OPRK1BDKRB2DDR1
SCHEMBL8892630 0.91 NPC1L1 (0.67) NPC1L1OPRM1OPRK1BDKRB2DDR1
SCHEMBL8894157 0.90 NPC1L1 (0.59) NPC1L1OPRM1OPRK1BDKRB2DDR1
SCHEMBL20187144 0.90 NPC1L1 (0.66) NPC1L1OPRM1OPRK1DDR1
SCHEMBL20187070 0.90 NPC1L1 (0.66) NPC1L1BDKRB2DDR1
SCHEMBL17140929 0.89 NPC1L1 (0.65) NPC1L1OPRM1OPRK1BDKRB2DDR1
SCHEMBL5563023 0.88 NPC1L1 (0.64) NPC1L1OPRM1OPRK1BDKRB2DDR1
SCHEMBL20187219 0.88 NPC1L1 (0.74) NPC1L1DDR1
SCHEMBL20187150 0.88 NPC1L1 (0.64) NPC1L1DDR1
SCHEMBL8893726 0.87 NPC1L1 (0.60) NPC1L1OPRM1OPRK1BDKRB2DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849044-B Triaza-spirodecanones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2021-06-25 CN disclosed
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-10-08 US disclosed
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-06 US disclosed
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMAN LA-ROCHE INC. (US) 2019-03-26 US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 US disclosed
EP-2097419-B1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS INC (US) 2011-05-25 EP disclosed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US disclosed
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 WO disclosed
US-5610142-A Bradykinin antagonist pseudopeptide derivatives of substituted 4-keto-1,3,8-triazaspiro[4.5]decan-3-alkanoic acids SCIOS INC. (US) 1997-03-11 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 (5 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-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 NPC1L1 3430/4885OPRM1 4280/4885OPRK1 3749/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 NPC1L1 3430/4885OPRM1 4280/4885OPRK1 3749/4885
US-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 NPC1L1 1449/4885OPRM1 1218/4885OPRK1 1560/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 NPC1L1 3430/4885OPRM1 4280/4885OPRK1 3749/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 NPC1L1 3430/4885OPRM1 4280/4885OPRK1 3749/4885

“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.