SCHEMBL20187041

SCHEMBL20187041

O=C1N(c2ccccc2F)CN(c2ccccc2)C12CCN(Cc1ccccc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.53
OPRM1 P35372 5/20 0.53
OPRD1 P41143 5/20 0.53
OPRK1 P41145 5/20 0.53
DDR1 Q08345 3/20 0.52
MEN1 O00255 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C9 P11712 1/20 0.46
DRD2 P14416 3/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
HTR2A P28223 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL20187029 0.87 OPRL1 (0.61) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL20187043 0.86 DDR1 (0.57) OPRL1OPRM1OPRD1OPRK1DDR1
SCHEMBL10736163 0.80 OPRL1 (0.59) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL20187107 0.80 DDR1 (0.53) OPRL1OPRM1OPRD1OPRK1DDR1
SCHEMBL20187081 0.79 DDR1 (0.59) OPRL1OPRM1OPRD1OPRK1DDR1
SCHEMBL10734152 0.78 DRD2 (0.65) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL20187024 0.77 MEN1 (0.63) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL20187187 0.74 OPRL1 (0.72) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL20187191 0.72 DDR1 (0.60) OPRL1OPRM1OPRD1OPRK1DDR1
SCHEMBL20187119 0.72 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1CYP3A4

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 OPRL1 2399/4885OPRM1 4280/4885OPRD1 2687/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 OPRL1 2399/4885OPRM1 4280/4885OPRD1 2687/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 OPRL1 2399/4885OPRM1 4280/4885OPRD1 2687/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 OPRL1 2399/4885OPRM1 4280/4885OPRD1 2687/4885

“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.