SCHEMBL20187031

SCHEMBL20187031

COC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)O)CC2)C1=O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.67
OPRM1 P35372 1/20 0.67
OPRK1 P41145 1/20 0.67
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
BDKRB2 P30411 1/20 0.61
NPC1L1 Q9UHC9 15/20 0.61
ENPP2 Q13822 1/20 0.51

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
SCHEMBL20187115 0.89 BDKRB2 (0.59) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL8892630 0.87 NPC1L1 (0.67) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL12315495 0.87 OPRL1 (0.65) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL318199 0.86 NPC1L1 (0.54) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL20187220 0.85 OPRL1 (0.63) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL20210400 0.84 DDR1 (0.63) OPRL1OPRM1OPRK1BDKRB2NPC1L1
SCHEMBL7757882 0.84 MEN1 (0.69) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL7992816 0.84 OPRL1 (0.66) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL20187056 0.83 DDR1 (0.65) BDKRB2NPC1L1ENPP2
SCHEMBL7709408 0.83 OPRL1 (0.61) OPRL1OPRM1OPRK1MEN1CYP3A4

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 OPRL1 2399/4885OPRM1 4280/4885OPRK1 3749/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 OPRL1 2399/4885OPRM1 4280/4885OPRK1 3749/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 OPRL1 2399/4885OPRM1 4280/4885OPRK1 3749/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 OPRL1 2399/4885OPRM1 4280/4885OPRK1 3749/4885

“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.