SCHEMBL20187016

SCHEMBL20187016

O=C1N(c2ccccc2)CN(c2ccccc2)C12CCNCC2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
DDR1 Q08345 4/20 0.47
BDKRB2 P30411 1/20 0.44
OPRM1 P35372 8/20 0.43
OPRD1 P41143 8/20 0.43
OPRK1 P41145 8/20 0.43
OPRL1 P41146 8/20 0.43
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPC1L1 Q9UHC9 2/20 0.41
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 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
SCHEMBL319018 0.91 DDR1 (0.49) HSD17B10DDR1BDKRB2OPRD1TSHR
SCHEMBL20187023 0.89 DDR1 (0.55) HSD17B10DDR1BDKRB2OPRM1OPRD1
SCHEMBL20187198 0.88 DDR1 (0.54) HSD17B10DDR1BDKRB2OPRM1OPRD1
SCHEMBL20187107 0.85 DDR1 (0.53) HSD17B10DDR1BDKRB2OPRM1OPRD1
SCHEMBL319010 0.84 HSD17B10 (0.43) HSD17B10DDR1BDKRB2OPRM1OPRD1
SCHEMBL7757908 0.84 HSD17B10 (0.54) HSD17B10DDR1BDKRB2OPRM1OPRD1
SCHEMBL20187035 0.84 DDR1 (0.57) HSD17B10DDR1OPRM1OPRL1KDM4E
SCHEMBL3067132 0.83 OPRL1 (0.61) HSD17B10BDKRB2OPRM1OPRD1OPRK1
SCHEMBL318906 0.82 NPC1L1 (0.44) HSD17B10DDR1BDKRB2NPC1L1
SCHEMBL1415422 0.82 HSD17B10 (0.52) HSD17B10BDKRB2OPRM1OPRD1OPRK1

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 HSD17B10 2768/4885DDR1 1/4885BDKRB2 1445/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 HSD17B10 2768/4885DDR1 1/4885BDKRB2 1445/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 HSD17B10 2768/4885DDR1 1/4885BDKRB2 1445/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 HSD17B10 2768/4885DDR1 1/4885BDKRB2 1445/4885

“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.