SCHEMBL20187164

SCHEMBL20187164

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C#N)cc1)CN2c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 5/20 0.56
NPC1L1 Q9UHC9 6/20 0.52
CCR5 P51681 2/20 0.46
USP30 Q70CQ3 1/20 0.46
GPR119 Q8TDV5 3/20 0.44
EGLN2 Q96KS0 1/20 0.42
ATM Q13315 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL319067 0.88 NPC1L1 (0.55) DDR1NPC1L1CCR5USP30GPR119
SCHEMBL17140860 0.87 GPR119 (0.46) DDR1NPC1L1CCR5GPR119EGLN2
SCHEMBL318903 0.83 ALDH1A1 (0.56) DDR1NPC1L1CCR5USP30GPR119
SCHEMBL20187112 0.82 DDR1 (0.55) DDR1NPC1L1CCR5USP30GPR119
SCHEMBL318306 0.82 NPC1L1 (0.50) DDR1NPC1L1CCR5USP30GPR119
SCHEMBL7845129 0.81 NPC1L1 (0.58) DDR1NPC1L1CCR5USP30GPR119
SCHEMBL17140692 0.81 NPC1L1 (0.58) NPC1L1CCR5USP30GPR119ATM
SCHEMBL21753327 0.80 HRH3 (0.55) USP30GPR119EGLN2JAK2JAK1
SCHEMBL20187229 0.79 DDR1 (0.61) DDR1NPC1L1CCR5USP30GPR119
SCHEMBL12338068 0.79 OPRM1 (0.59) DDR1NPC1L1CCR5USP30GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3430/4885CCR5 1465/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885NPC1L1 3430/4885CCR5 1465/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885NPC1L1 3430/4885CCR5 1465/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885NPC1L1 3430/4885CCR5 1465/4885

“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.