SCHEMBL20187119

SCHEMBL20187119

O=C1N=CN(c2ccccc2F)C12CCN(Cc1ccccc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MCHR1 Q99705 1/20 0.41
SIGMAR1 Q99720 5/20 0.40
CCR5 P51681 4/20 0.40
DRD2 P14416 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL16876815 0.89 EEF2K (0.42) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL7701370 0.86 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL16876893 0.84 OPRL1 (0.45) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL7706497 0.84 OPRL1 (0.54) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL5556020 0.83 DRD2 (0.47) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL16876863 0.83 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL16876820 0.81 OPRL1 (0.42) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL18353715 0.81 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL16876851 0.80 RORC (0.42) OPRL1OPRM1OPRD1OPRK1CYP3A4
SCHEMBL20187044 0.80 OPRL1 (0.43) OPRL1OPRM1OPRD1OPRK1CYP3A4

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 4280/4885OPRD1 2687/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 OPRL1 2399/4885OPRM1 4280/4885OPRD1 2687/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 OPRL1 2399/4885OPRM1 4280/4885OPRD1 2687/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 OPRL1 2399/4885OPRM1 4280/4885OPRD1 2687/4885

“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.