SCHEMBL20187190

SCHEMBL20187190

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

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 13/20 0.66
NPC1L1 Q9UHC9 7/20 0.63
DDR2 Q16832 3/20 0.60

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
SCHEMBL20187144 0.88 NPC1L1 (0.66) DDR1NPC1L1
SCHEMBL20187228 0.88 DDR1 (0.73) DDR1NPC1L1DDR2
SCHEMBL20187150 0.86 NPC1L1 (0.64) DDR1NPC1L1
SCHEMBL1855447 0.86 NPC1L1 (0.70) DDR1NPC1L1
SCHEMBL8892630 0.85 NPC1L1 (0.67) DDR1NPC1L1
SCHEMBL20187219 0.83 NPC1L1 (0.74) DDR1NPC1L1
SCHEMBL20187075 0.82 DDR1 (0.62) DDR1NPC1L1DDR2
SCHEMBL20187070 0.82 NPC1L1 (0.66) DDR1NPC1L1
SCHEMBL20187018 0.82 DDR1 (0.64) DDR1NPC1L1
SCHEMBL17140929 0.81 NPC1L1 (0.65) DDR1NPC1L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3430/4885DDR2 2/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885NPC1L1 3430/4885DDR2 2/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885NPC1L1 3430/4885DDR2 2/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885NPC1L1 3430/4885DDR2 2/4885

“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.