SCHEMBL20187112

SCHEMBL20187112

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(c1cccc(Cl)c1)CN2c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 7/20 0.55
USP30 Q70CQ3 1/20 0.54
NPC1L1 Q9UHC9 5/20 0.54
CCR5 P51681 2/20 0.47
GPR119 Q8TDV5 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
STS P08842 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
SCHEMBL20187148 0.87 DDR1 (0.59) DDR1USP30NPC1L1CCR5ENPP2
SCHEMBL17140752 0.87 NPC1L1 (0.48) DDR1USP30NPC1L1CCR5GPR119
SCHEMBL319067 0.85 NPC1L1 (0.55) DDR1USP30NPC1L1CCR5GPR119
SCHEMBL17140692 0.83 NPC1L1 (0.58) USP30NPC1L1CCR5GPR119OPRM1
SCHEMBL7845129 0.83 NPC1L1 (0.58) DDR1USP30NPC1L1CCR5GPR119
SCHEMBL20187164 0.82 DDR1 (0.56) DDR1USP30NPC1L1CCR5GPR119
SCHEMBL20187028 0.81 DDR1 (0.61) DDR1USP30NPC1L1CCR5OPRM1
SCHEMBL318903 0.81 ALDH1A1 (0.56) DDR1USP30NPC1L1CCR5GPR119
SCHEMBL5563023 0.80 NPC1L1 (0.64) DDR1NPC1L1CCR5OPRM1OPRK1
SCHEMBL12338068 0.80 OPRM1 (0.59) DDR1USP30NPC1L1CCR5GPR119

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 DDR1 1/4885USP30 3051/4885NPC1L1 3430/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885USP30 3051/4885NPC1L1 3430/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885USP30 3051/4885NPC1L1 3430/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885USP30 3051/4885NPC1L1 3430/4885

“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.