SCHEMBL20187108

SCHEMBL20187108

Cc1cc(F)c(N2CN(c3ccccc3)C3(CCNCC3)C2=O)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 10/20 0.60
HSD17B10 Q99714 1/20 0.41
OPRM1 P35372 6/20 0.35
OPRK1 P41145 6/20 0.35
OPRL1 P41146 6/20 0.35
OPRD1 P41143 5/20 0.35
BDKRB2 P30411 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
NPC1L1 Q9UHC9 1/20 0.35

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
SCHEMBL20187089 0.84 DDR1 (0.58) DDR1HSD17B10OPRM1OPRK1OPRL1
SCHEMBL20187117 0.84 DDR1 (0.58) DDR1HSD17B10OPRM1OPRK1OPRL1
SCHEMBL20187107 0.81 DDR1 (0.53) DDR1HSD17B10OPRM1OPRK1OPRL1
SCHEMBL20187028 0.80 DDR1 (0.61) DDR1OPRM1OPRK1OPRD1NPC1L1
SCHEMBL20187193 0.78 DDR1 (0.59) DDR1HSD17B10OPRM1OPRL1NPC1L1
SCHEMBL20187125 0.78 DDR1 (0.59) DDR1HSD17B10OPRM1OPRL1NPC1L1
SCHEMBL20187127 0.77 DDR1 (0.60) DDR1HSD17B10OPRM1OPRK1OPRL1
SCHEMBL20187016 0.77 HSD17B10 (0.57) DDR1HSD17B10OPRM1OPRK1OPRL1
SCHEMBL20187198 0.76 DDR1 (0.54) DDR1HSD17B10OPRM1OPRK1OPRL1
SCHEMBL18374193 0.76 DDR1 (1.00) DDR1

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 1/4885HSD17B10 2768/4885OPRM1 4280/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885HSD17B10 2768/4885OPRM1 4280/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885HSD17B10 2768/4885OPRM1 4280/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885HSD17B10 2768/4885OPRM1 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.