SCHEMBL20187124

SCHEMBL20187124

NC(=O)C1(Nc2cccc(Br)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
CYP2D6 P10635 1/20 0.58
POLB P06746 1/20 0.56
NPFFR1 Q9GZQ6 6/20 0.54
NPFFR2 Q9Y5X5 6/20 0.54
OPRK1 P41145 2/20 0.54
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
FAAH O00519 2/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
KMT2A Q03164 3/20 0.48

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
SCHEMBL2996293 0.88 CYP2D6 (0.68) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL16876726 0.87 ALDH1A1 (0.61) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL7707050 0.86 ALDH1A1 (0.61) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL20187134 0.86 CYP2D6 (0.58) ALDH1A1CYP2D6POLBNPFFR1NPFFR2
SCHEMBL11566812 0.84 UBE2M (0.57) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL11564966 0.84 NPFFR1 (0.64) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL4220545 0.83 ALDH1A1 (0.54) ALDH1A1CYP2D6POLBNPFFR1NPFFR2
SCHEMBL16876691 0.82 CYP2D6 (0.58) ALDH1A1CYP2D6POLBNPFFR1NPFFR2
SCHEMBL654357 0.81 ALDH1A1 (0.62) ALDH1A1CYP2D6NPFFR1NPFFR2OPRK1
SCHEMBL16876704 0.81 CYP2D6 (0.59) ALDH1A1CYP2D6POLBNPFFR1NPFFR2

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 ALDH1A1 1320/4885CYP2D6 3278/4885POLB 2150/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 ALDH1A1 1320/4885CYP2D6 3278/4885POLB 2150/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 ALDH1A1 1320/4885CYP2D6 3278/4885POLB 2150/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 ALDH1A1 1320/4885CYP2D6 3278/4885POLB 2150/4885

“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.