SCHEMBL20187129

SCHEMBL20187129

O=C(NCC(F)(F)F)C(OC(=O)C(F)(F)F)N1CN(c2ccccc2)C2(CCNCC2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 16/20 0.47
DDR2 Q16832 3/20 0.39
NPC1L1 Q9UHC9 1/20 0.36
HSD17B10 Q99714 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
BDKRB2 P30411 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
SCHEMBL20187067 0.84 DDR1 (0.61) DDR1DDR2NPC1L1HSD17B10OPRM1
SCHEMBL20187192 0.75 DDR1 (0.64) DDR1DDR2
Trifluoroacetic Acid SCHEMBL20187130 0.75 DDR1 (0.61) DDR1DDR2
Hydrochloric Acid SCHEMBL20187033 0.74 DDR1 (0.63) DDR1DDR2
Fluoroacetate SCHEMBL20187131 0.72 DDR1 (0.42) DDR1DDR2NPC1L1HSD17B10BDKRB2
SCHEMBL20187075 0.70 DDR1 (0.62) DDR1DDR2NPC1L1
SCHEMBL10248209 0.69 OPRK1 (0.51) NPC1L1HSD17B10OPRM1OPRD1OPRK1
SCHEMBL10248464 0.69 OPRK1 (0.51) NPC1L1HSD17B10OPRM1OPRD1OPRK1
SCHEMBL11879130 0.69 OPRL1 (0.65) NPC1L1HSD17B10OPRM1OPRD1OPRK1
SCHEMBL318086 0.69 OPRL1 (0.48) NPC1L1HSD17B10OPRM1OPRD1OPRK1

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 1/4885DDR2 2/4885NPC1L1 3430/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885DDR2 2/4885NPC1L1 3430/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885DDR2 2/4885NPC1L1 3430/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885DDR2 2/4885NPC1L1 3430/4885

“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.