SCHEMBL20187096

SCHEMBL20187096

N#CC1(Nc2cccc(Br)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 1/20 0.50
OPRM1 P35372 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA14 Q9ULX7 2/20 0.47
FAAH O00519 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
KMT2A Q03164 1/20 0.42
OPRL1 P41146 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42

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
SCHEMBL2985757 0.87 SMN1; SMN2 (0.75) SMN1; SMN2POLBOPRM1CA12CA1
SCHEMBL6045751 0.87 SMN1; SMN2 (0.60) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL16876701 0.86 SMN1; SMN2 (0.63) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL593215 0.86 SMN1; SMN2 (0.59) SMN1; SMN2POLBOPRM1CA12CA1
SCHEMBL7705959 0.86 SMN1; SMN2 (0.59) SMN1; SMN2POLBOPRM1CA12CA1
SCHEMBL11565080 0.83 SMN1; SMN2 (0.56) SMN1; SMN2POLBOPRM1CA12CA1
SCHEMBL4213929 0.81 SMN1; SMN2 (0.54) SMN1; SMN2POLBOPRM1CA12CA1
SCHEMBL16876707 0.81 SMN1; SMN2 (0.56) SMN1; SMN2POLBOPRM1CA12CA1
SCHEMBL654710 0.80 SMN1; SMN2 (0.64) SMN1; SMN2POLBOPRM1CA12CA1
SCHEMBL16876747 0.80 SMN1; SMN2 (0.57) SMN1; SMN2POLBOPRM1CA12CA1

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 SMN1; SMN2 2553/4885POLB 2150/4885OPRM1 4280/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 SMN1; SMN2 2553/4885POLB 2150/4885OPRM1 4280/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 SMN1; SMN2 2553/4885POLB 2150/4885OPRM1 4280/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 SMN1; SMN2 2553/4885POLB 2150/4885OPRM1 4280/4885

“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.