SCHEMBL20187068

SCHEMBL20187068

Cc1nc(C)c(N2CN(c3ccccc3)C3(CCN(C(=O)O)CC3)C2=O)s1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 16/20 0.67
BDKRB2 P30411 1/20 0.43
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
ENPP2 Q13822 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
SCHEMBL20187166 0.87 DDR1 (0.60) DDR1
SCHEMBL18373963 0.81 DDR1 (1.00) DDR1
SCHEMBL20187040 0.77 DDR1 (0.67) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL20187171 0.74 DDR1 (0.67) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL20187226 0.72 DDR1 (0.66) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL20187186 0.72 DDR1 (0.67) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL20187230 0.71 DDR1 (0.68) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL18574683 0.69 NPC1L1 (0.46) DDR1BDKRB2
SCHEMBL20187213 0.69 DDR1 (0.69) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL20187115 0.69 BDKRB2 (0.59) BDKRB2OPRM1OPRD1OPRK1OPRL1

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 DDR1 1/4885BDKRB2 1445/4885OPRM1 4280/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885BDKRB2 1445/4885OPRM1 4280/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885BDKRB2 1445/4885OPRM1 4280/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885BDKRB2 1445/4885OPRM1 4280/4885

“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.