SCHEMBL20187045

SCHEMBL20187045

O=C(CN1CN(c2ccccc2F)C2(CCNCC2)C1=O)NCC(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 19/20 0.62
DDR2 Q16832 3/20 0.48
SCN9A Q15858 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45

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
SCHEMBL20187192 0.87 DDR1 (0.64) DDR1DDR2
Hydrochloric Acid SCHEMBL20187033 0.86 DDR1 (0.63) DDR1DDR2
Trifluoroacetic Acid SCHEMBL20187130 0.84 DDR1 (0.61) DDR1DDR2
SCHEMBL20187191 0.84 DDR1 (0.60) DDR1DDR2
SCHEMBL20187063 0.84 DDR1 (0.61) DDR1DDR2
SCHEMBL20187205 0.83 DDR1 (0.64) DDR1DDR2
SCHEMBL20187168 0.81 DDR1 (0.64) DDR1DDR2
SCHEMBL20187167 0.80 DDR1 (0.65) DDR1DDR2
SCHEMBL20187173 0.80 DDR1 (0.65) DDR1DDR2
SCHEMBL20187046 0.80 DDR1 (0.65) DDR1DDR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849044-B Triaza-spirodecanones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2021-06-25 CN disclosed
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 2/4885SCN9A 2239/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885DDR2 2/4885SCN9A 2239/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885DDR2 2/4885SCN9A 2239/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885DDR2 2/4885SCN9A 2239/4885

“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.