SCHEMBL20187145

SCHEMBL20187145

O=C1NCN(c2ccc(Cl)c(Cl)c2)C12CCNCC2

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.63
SLC6A9 P48067 2/20 0.47
SLC6A5 Q9Y345 2/20 0.47
OPRM1 P35372 14/20 0.47
OPRL1 P41146 14/20 0.47
OPRK1 P41145 13/20 0.47
ADRB1 P08588 1/20 0.45
OPRD1 P41143 12/20 0.45
CACNA1F O60840 1/20 0.42
DRD3 P35462 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CCR5 P51681 1/20 0.41

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
SCHEMBL11595827 0.88 HSD17B10 (0.59) HSD17B10SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL11507207 0.88 HSD17B10 (0.59) HSD17B10SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL3068674 0.84 HSD17B10 (0.73) HSD17B10SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL18353751 0.83 HSD17B10 (0.59) HSD17B10SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL11880961 0.78 HSD17B10 (0.73) HSD17B10SLC6A9OPRM1OPRL1OPRK1
SCHEMBL11593274 0.78 HSD17B10 (0.73) HSD17B10SLC6A9OPRM1OPRL1OPRK1
SCHEMBL318959 0.78 HSD17B10 (0.73) HSD17B10SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL5556794 0.78 HSD17B10 (0.73) HSD17B10SLC6A9SLC6A5OPRM1OPRL1
SCHEMBL219618 0.78 HSD17B10 (1.00) HSD17B10SLC6A9OPRM1OPRL1OPRK1
SCHEMBL7587764 0.78 HSD17B10 (1.00) HSD17B10SLC6A9OPRM1OPRL1OPRK1

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 HSD17B10 2768/4885SLC6A9 4234/4885SLC6A5 4172/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 HSD17B10 2768/4885SLC6A9 4234/4885SLC6A5 4172/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 HSD17B10 2768/4885SLC6A9 4234/4885SLC6A5 4172/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 HSD17B10 2768/4885SLC6A9 4234/4885SLC6A5 4172/4885

“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.