SCHEMBL20187178

SCHEMBL20187178

N#CC1(Nc2cccnc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
OPRM1 P35372 2/20 0.49
CHRM2 P08172 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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; SMN2OPRM1CA12CA1CA2
SCHEMBL654710 0.80 SMN1; SMN2 (0.64) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL6045751 0.80 SMN1; SMN2 (0.60) SMN1; SMN2OPRM1CHRM2CA12CA1
SCHEMBL7706443 0.79 SMN1; SMN2 (0.63) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL5561697 0.79 SMN1; SMN2 (0.63) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL16876701 0.79 SMN1; SMN2 (0.63) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL16876699 0.79 SMN1; SMN2 (0.63) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL593215 0.79 SMN1; SMN2 (0.59) SMN1; SMN2OPRM1CA12CA1CA2
SCHEMBL7705959 0.79 SMN1; SMN2 (0.59) SMN1; SMN2OPRM1CHRM2CA12CA1
SCHEMBL20187096 0.79 SMN1; SMN2 (0.59) SMN1; SMN2OPRM1CA12CA1CA2

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 2553/4885OPRM1 4280/4885CHRM2 3315/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 SMN1; SMN2 2553/4885OPRM1 4280/4885CHRM2 3315/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 SMN1; SMN2 2553/4885OPRM1 4280/4885CHRM2 3315/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 SMN1; SMN2 2553/4885OPRM1 4280/4885CHRM2 3315/4885

“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.