SCHEMBL21048167

SCHEMBL21048167

CC(C)(C)OC(=O)NC1CC1c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.57
MAOB P27338 2/20 0.55
MAOA P21397 1/20 0.51
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
TLR2 O60603 2/20 0.41
TLR1 Q15399 2/20 0.41
TSHR P16473 1/20 0.39
PDE4B Q07343 2/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
EZH2 Q15910 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL13272369 0.86 KDM1A (0.58) KDM1AMAOBMAOANPSR1SMN1; SMN2
SCHEMBL7857682 0.85 KDM1A (0.57) KDM1AMAOBMAOANPSR1SMN1; SMN2
SCHEMBL15540982 0.85 KDM1A (0.57) KDM1AMAOBMAOANPSR1SMN1; SMN2
SCHEMBL15540980 0.85 KDM1A (0.57) KDM1AMAOBMAOANPSR1SMN1; SMN2
SCHEMBL7904171 0.85 KDM1A (0.57) KDM1AMAOBMAOANPSR1SMN1; SMN2
SCHEMBL15149989 0.84 KDM1A (0.70) KDM1AMAOBMAOANPSR1SMN1; SMN2
SCHEMBL12242261 0.84 KDM1A (0.70) KDM1AMAOBMAOANPSR1SMN1; SMN2
SCHEMBL15094433 0.84 KDM1A (0.70) KDM1AMAOBMAOANPSR1SMN1; SMN2
SCHEMBL2212928 0.84 KDM1A (0.70) KDM1AMAOBMAOANPSR1SMN1; SMN2
SCHEMBL4817372 0.84 KDM1A (0.74) KDM1AMAOBMAOANPSR1SMN1; SMN2

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 4 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
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
CN-107849044-A Thriazaspiro last of the ten Heavenly stems ketone compounds as DDR1 inhibitor 豪夫迈·罗氏有限公司 2018-03-27 CN 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 (2 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 KDM1A 1416/4885MAOB 4656/4885MAOA 4543/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 KDM1A 1416/4885MAOB 4656/4885MAOA 4543/4885

“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.