SCHEMBL20187089

SCHEMBL20187089

O=C1N(c2ccc(Cl)cc2F)CN(c2ccccc2)C12CCNCC2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 10/20 0.58
HSD17B10 Q99714 1/20 0.43
ENPP2 Q13822 1/20 0.38
OPRM1 P35372 4/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 4/20 0.35
OPRL1 P41146 4/20 0.35
BDKRB2 P30411 1/20 0.35
TSHR P16473 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL20187117 0.87 DDR1 (0.58) DDR1HSD17B10ENPP2OPRM1OPRD1
SCHEMBL20187107 0.86 DDR1 (0.53) DDR1HSD17B10OPRM1OPRD1OPRK1
SCHEMBL20187125 0.85 DDR1 (0.59) DDR1HSD17B10OPRM1OPRL1
SCHEMBL20187108 0.84 DDR1 (0.60) DDR1HSD17B10OPRM1OPRD1OPRK1
SCHEMBL20187198 0.83 DDR1 (0.54) DDR1HSD17B10ENPP2OPRM1OPRD1
SCHEMBL20187193 0.81 DDR1 (0.59) DDR1HSD17B10ENPP2OPRM1OPRL1
SCHEMBL20187016 0.79 HSD17B10 (0.57) DDR1HSD17B10OPRM1OPRD1OPRK1
SCHEMBL20187148 0.78 DDR1 (0.59) DDR1ENPP2HRH3
SCHEMBL20187127 0.78 DDR1 (0.60) DDR1HSD17B10OPRM1OPRD1OPRK1
SCHEMBL18373983 0.74 DDR1 (1.00) DDR1

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 DDR1 1/4885HSD17B10 2768/4885ENPP2 3826/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885HSD17B10 2768/4885ENPP2 3826/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885HSD17B10 2768/4885ENPP2 3826/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885HSD17B10 2768/4885ENPP2 3826/4885

“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.