SCHEMBL20187186

SCHEMBL20187186

CCn1cc(N2CN(c3ccccc3)C3(CCN(C(=O)O)CC3)C2=O)cn1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 14/20 0.67
BDKRB2 P30411 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
GRM4 Q14833 1/20 0.40
NPC1L1 Q9UHC9 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
SCHEMBL20187229 0.88 DDR1 (0.61) DDR1OPRD1OPRK1NPC1L1
SCHEMBL20187226 0.81 DDR1 (0.66) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL18374507 0.81 DDR1 (1.00) DDR1
SCHEMBL20187040 0.72 DDR1 (0.67) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL20187171 0.72 DDR1 (0.67) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL20187068 0.72 DDR1 (0.67) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL20187137 0.71 DDR1 (0.61) DDR1BDKRB2OPRD1OPRK1NPC1L1
SCHEMBL20187115 0.70 BDKRB2 (0.59) BDKRB2OPRM1OPRD1OPRK1OPRL1
SCHEMBL20187234 0.70 DDR1 (0.67) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL20187031 0.70 OPRL1 (0.67) BDKRB2OPRM1OPRK1OPRL1NPC1L1

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.