SCHEMBL20187136

SCHEMBL20187136

CCOC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
KMT2A Q03164 1/20 0.66
OPRL1 P41146 12/20 0.61
BDKRB2 P30411 1/20 0.56
OPRM1 P35372 11/20 0.55
OPRK1 P41145 11/20 0.55
OPRD1 P41143 10/20 0.52
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
NPC1L1 Q9UHC9 1/20 0.48

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
SCHEMBL18973052 0.87 BDKRB2 (0.73) MEN1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL20187115 0.86 BDKRB2 (0.59) MEN1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL20187024 0.86 MEN1 (0.63) MEN1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL20340403 0.85 BDKRB2 (0.57) MEN1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL5100454 0.84 BDKRB2 (0.55) MEN1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL7995842 0.83 CYP2D6 (0.80) MEN1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL7759170 0.83 MEN1 (0.77) MEN1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL18972830 0.83 BDKRB2 (0.55) MEN1CYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL10736163 0.82 OPRL1 (0.59) MEN1CYP3A4CYP2D6CYP2C9KMT2A
Hydrochloric Acid SCHEMBL17140435 0.82 BDKRB2 (0.54) MEN1CYP3A4CYP2D6CYP2C9KMT2A

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 MEN1 1263/4885CYP3A4 4259/4885CYP2D6 3278/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 MEN1 1263/4885CYP3A4 4259/4885CYP2D6 3278/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 MEN1 1263/4885CYP3A4 4259/4885CYP2D6 3278/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 MEN1 1263/4885CYP3A4 4259/4885CYP2D6 3278/4885

“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.