SCHEMBL20187189

SCHEMBL20187189

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(Cc1cccc(C#N)n1)CN2c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 10/20 0.62
NPC1L1 Q9UHC9 7/20 0.54
BDKRB2 P30411 1/20 0.43
CCR5 P51681 1/20 0.43
OPRL1 P41146 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
SCHEMBL20187172 0.88 DDR1 (0.69) DDR1BDKRB2OPRL1
SCHEMBL5563023 0.82 NPC1L1 (0.64) DDR1NPC1L1BDKRB2CCR5OPRL1
SCHEMBL20187236 0.80 DDR1 (0.60) DDR1NPC1L1BDKRB2OPRL1
SCHEMBL20187201 0.79 DDR1 (0.60) DDR1NPC1L1BDKRB2CCR5
SCHEMBL1855447 0.79 NPC1L1 (0.70) DDR1NPC1L1BDKRB2
SCHEMBL18601755 0.78 NPC1L1 (0.59) DDR1NPC1L1BDKRB2CCR5OPRL1
SCHEMBL318723 0.78 NPC1L1 (0.59) DDR1NPC1L1BDKRB2CCR5OPRL1
SCHEMBL20187174 0.78 DDR1 (0.65) DDR1NPC1L1BDKRB2CCR5
SCHEMBL20187155 0.78 DDR1 (0.62) DDR1NPC1L1BDKRB2
Water SCHEMBL5142065 0.78 NPC1L1 (0.61) DDR1NPC1L1BDKRB2CCR5OPRL1

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 1/4885NPC1L1 3430/4885BDKRB2 1445/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885NPC1L1 3430/4885BDKRB2 1445/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885NPC1L1 3430/4885BDKRB2 1445/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885NPC1L1 3430/4885BDKRB2 1445/4885

“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.