SCHEMBL20187104

SCHEMBL20187104

O=C1NCN(c2cccc(F)c2)C12CCN(Cc1ccccc1)CC2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.78
OPRM1 P35372 10/20 0.78
OPRD1 P41143 10/20 0.78
OPRK1 P41145 10/20 0.78
DRD2 P14416 3/20 0.67
DRD3 P35462 3/20 0.67
ADRA1D P25100 2/20 0.67
ADRA1A P35348 2/20 0.67
ADRA1B P35368 2/20 0.67
CACNA1F O60840 1/20 0.67
CHRM2 P08172 1/20 0.67
ADRB1 P08588 1/20 0.67
SLC6A2 P23975 1/20 0.67
HRH1 P35367 1/20 0.67
CACNA1D Q01668 1/20 0.67
SLC6A3 Q01959 1/20 0.67
CACNA1S Q13698 1/20 0.67
CACNA1C Q13936 1/20 0.67
SIGMAR1 Q99720 1/20 0.67
DRD4 P21917 3/20 0.62

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
SCHEMBL20187078 0.89 OPRL1 (0.82) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL7847623 0.88 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL20187118 0.88 OPRM1 (0.73) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL10733564 0.87 OPRM1 (0.84) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL20187097 0.87 OPRM1 (0.84) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL20187058 0.87 OPRL1 (0.78) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL20187208 0.86 OPRL1 (0.73) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL18353712 0.84 OPRL1 (0.74) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL5925353 0.84 OPRL1 (0.82) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL6508479 0.82 OPRL1 (0.78) OPRL1OPRM1OPRD1OPRK1DRD2

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.