SCHEMBL20187180

SCHEMBL20187180

CNC(=O)Cc1cccc(N(C)C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)O)CC3)C2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 6/20 0.53
ENPP2 Q13822 3/20 0.48
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
DRD5 P21918 1/20 0.47
BDKRB2 P30411 1/20 0.46
OPRL1 P41146 2/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
NPC1L1 Q9UHC9 6/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL20187182 0.85 DDR1 (0.70) DDR1ENPP2OPRM1OPRD1OPRK1
SCHEMBL20210400 0.81 DDR1 (0.63) DDR1OPRM1OPRD1OPRK1BDKRB2
SCHEMBL20187018 0.75 DDR1 (0.64) DDR1OPRM1OPRD1OPRK1DRD5
SCHEMBL20822345 0.74 DDR1 (0.65) DDR1ENPP2OPRM1OPRD1OPRK1
SCHEMBL20187031 0.73 OPRL1 (0.67) ENPP2OPRM1OPRK1BDKRB2OPRL1
Hydrochloric Acid SCHEMBL20187231 0.73 DDR1 (0.64) DDR1ENPP2OPRM1OPRD1OPRK1
SCHEMBL20187056 0.72 DDR1 (0.65) DDR1ENPP2BDKRB2NPC1L1
SCHEMBL20187115 0.72 BDKRB2 (0.59) OPRM1OPRD1OPRK1DRD5BDKRB2
SCHEMBL318850 0.70 MEN1 (0.53) DDR1ENPP2OPRM1OPRD1OPRK1
SCHEMBL20187139 0.70 DDR1 (0.69) DDR1OPRM1OPRD1OPRK1BDKRB2

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 1/4885ENPP2 3826/4885OPRM1 4280/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885ENPP2 3826/4885OPRM1 4280/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885ENPP2 3826/4885OPRM1 4280/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885ENPP2 3826/4885OPRM1 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.