SCHEMBL20187230

SCHEMBL20187230

Cc1cccc(CN2CN(c3ccccc3)C3(CCN(C(=O)O)CC3)C2=O)n1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 11/20 0.68
BDKRB2 P30411 1/20 0.51
OPRL1 P41146 4/20 0.47
OPRM1 P35372 3/20 0.45
OPRD1 P41143 3/20 0.45
OPRK1 P41145 3/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1L1 Q9UHC9 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
SCHEMBL20187236 0.86 DDR1 (0.60) DDR1BDKRB2OPRL1NPC1L1
SCHEMBL20187172 0.85 DDR1 (0.69) DDR1BDKRB2OPRL1OPRM1OPRD1
SCHEMBL18374541 0.81 DDR1 (1.00) DDR1
SCHEMBL20187213 0.80 DDR1 (0.69) DDR1BDKRB2OPRL1OPRM1OPRD1
SCHEMBL20187047 0.79 DDR1 (0.67) DDR1BDKRB2OPRL1OPRM1OPRD1
SCHEMBL20187216 0.78 DDR1 (0.70) DDR1BDKRB2NPC1L1
SCHEMBL20187165 0.78 DDR1 (0.67) DDR1BDKRB2OPRL1OPRM1OPRD1
SCHEMBL20187234 0.78 DDR1 (0.67) DDR1BDKRB2OPRL1OPRM1OPRD1
SCHEMBL20187210 0.77 DDR1 (0.69) DDR1BDKRB2NPC1L1
SCHEMBL20187115 0.76 BDKRB2 (0.59) BDKRB2OPRL1OPRM1OPRD1OPRK1

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 1445/4885OPRL1 2399/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885BDKRB2 1445/4885OPRL1 2399/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885BDKRB2 1445/4885OPRL1 2399/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885BDKRB2 1445/4885OPRL1 2399/4885

“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.