SCHEMBL20187076

SCHEMBL20187076

O=C(O)NC1CC1c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC4 P56524 1/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
TLR2 O60603 2/20 0.45
TLR1 Q15399 2/20 0.45
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CNR1 P21554 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
EPHX2 P34913 2/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL3028226 0.83 SMN1; SMN2 (0.57) KDM1ANPSR1SMN1; SMN2HDAC4HTR2A
SCHEMBL28035394 0.82 GAA (0.49) KDM1ANPSR1SMN1; SMN2HDAC4HTR2A
SCHEMBL6153775 0.81 SMN1; SMN2 (0.73) KDM1ANPSR1SMN1; SMN2TLR2TLR1
SCHEMBL7980208 0.81 SMN1; SMN2 (0.73) KDM1ANPSR1SMN1; SMN2TLR2TLR1
SCHEMBL3457343 0.81 SMN1; SMN2 (0.73) KDM1ANPSR1SMN1; SMN2TLR2TLR1
SCHEMBL6154005 0.81 SMN1; SMN2 (0.73) KDM1ANPSR1SMN1; SMN2TLR2TLR1
SCHEMBL7006409 0.81 SMN1; SMN2 (0.51) KDM1ANPSR1SMN1; SMN2TLR2TLR1
SCHEMBL3048130 0.81 SMN1; SMN2 (0.51) KDM1ANPSR1SMN1; SMN2HTR2AHTR2C
SCHEMBL7006403 0.81 SMN1; SMN2 (0.51) KDM1ANPSR1SMN1; SMN2TLR2TLR1
SCHEMBL2562813 0.80 TLR2 (0.56) KDM1ANPSR1SMN1; SMN2TLR2TLR1

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
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
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 (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 KDM1A 1416/4885NPSR1 896/4885SMN1; SMN2 2553/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 KDM1A 1416/4885NPSR1 896/4885SMN1; SMN2 2553/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 KDM1A 1416/4885NPSR1 896/4885SMN1; SMN2 2553/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 KDM1A 1416/4885NPSR1 896/4885SMN1; SMN2 2553/4885

“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.