SCHEMBL20187171

SCHEMBL20187171

Cc1cc(N2CN(c3ccccc3)C3(CCN(C(=O)O)CC3)C2=O)nn1C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 13/20 0.67
BDKRB2 P30411 1/20 0.45
ENPP2 Q13822 4/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 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
SCHEMBL20187142 0.87 DDR1 (0.60) DDR1BDKRB2ENPP2OPRM1OPRD1
SCHEMBL20187040 0.83 DDR1 (0.67) DDR1BDKRB2ENPP2OPRM1OPRD1
SCHEMBL18374186 0.81 DDR1 (1.00) DDR1
SCHEMBL20187226 0.78 DDR1 (0.66) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL20187068 0.74 DDR1 (0.67) DDR1BDKRB2ENPP2OPRM1OPRD1
SCHEMBL20187234 0.73 DDR1 (0.67) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL20187186 0.72 DDR1 (0.67) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL20187196 0.71 DDR1 (0.60) DDR1BDKRB2
SCHEMBL20187230 0.71 DDR1 (0.68) DDR1BDKRB2OPRM1OPRD1OPRK1
SCHEMBL20187165 0.71 DDR1 (0.67) DDR1BDKRB2OPRM1OPRD1OPRK1

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 1445/4885ENPP2 3826/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885BDKRB2 1445/4885ENPP2 3826/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885BDKRB2 1445/4885ENPP2 3826/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885BDKRB2 1445/4885ENPP2 3826/4885

“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.