SCHEMBL20187220

SCHEMBL20187220

COC(=O)CN1CN(c2ccccc2)C2(CCNCC2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.63
OPRM1 P35372 3/20 0.63
OPRK1 P41145 3/20 0.63
MEN1 O00255 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
KMT2A Q03164 1/20 0.62
BDKRB2 P30411 2/20 0.57
NPC1L1 Q9UHC9 11/20 0.52
OPRD1 P41143 2/20 0.46
HSD17B10 Q99714 1/20 0.45
DDR1 Q08345 1/20 0.44

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
SCHEMBL18972830 0.89 BDKRB2 (0.55) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL12315495 0.88 OPRL1 (0.65) OPRL1OPRM1OPRK1MEN1CYP3A4
Hydrochloric Acid SCHEMBL17140435 0.88 BDKRB2 (0.54) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL12893390 0.87 BDKRB2 (0.74) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL173699 0.87 BDKRB2 (0.59) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL1640719 0.86 OPRM1 (0.57) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL319140 0.86 BDKRB2 (0.49) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL20187031 0.85 OPRL1 (0.67) OPRL1OPRM1OPRK1MEN1CYP3A4
SCHEMBL20822346 0.83 DDR1 (0.58) OPRL1OPRM1OPRK1BDKRB2NPC1L1
Hydrochloric Acid SCHEMBL20187149 0.82 DDR1 (0.57) OPRL1OPRM1OPRK1BDKRB2NPC1L1

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 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.