SCHEMBL20187035

SCHEMBL20187035

O=C1N(c2cccc(C(F)(F)F)c2)CN(c2ccccc2)C12CCNCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 6/20 0.57
ALDH1A1 P00352 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2C P28335 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
HSD17B10 Q99714 2/20 0.45
AR P10275 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.41
DRD2 P14416 2/20 0.41

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
SCHEMBL20187193 0.84 DDR1 (0.59) DDR1OPRM1OPRL1HSD17B10KCNH2
SCHEMBL20187125 0.84 DDR1 (0.59) DDR1ALDH1A1HTR3EHTR3BHTR1D
SCHEMBL20187127 0.84 DDR1 (0.60) DDR1OPRM1OPRL1HSD17B10KCNH2
SCHEMBL20187016 0.84 HSD17B10 (0.57) DDR1MAPTOPRM1OPRL1HSD17B10
SCHEMBL20187198 0.83 DDR1 (0.54) DDR1ALDH1A1HTR3EHTR3BHTR2C
SCHEMBL319163 0.76 OPRM1 (0.51) DDR1ALDH1A1MAPTOPRM1OPRL1
SCHEMBL12495659 0.76 TSHR (0.46) MAPTOPRM1OPRL1HSD17B10MEN1
SCHEMBL20187107 0.76 DDR1 (0.53) DDR1OPRM1OPRL1HSD17B10MEN1
SCHEMBL319018 0.76 DDR1 (0.49) DDR1ALDH1A1HSD17B10DRD2DRD3
SCHEMBL3863396 0.75 HSD17B10 (0.65) ALDH1A1HTR3EHTR3BHTR1DHTR2C

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 DDR1 1/4885ALDH1A1 1320/4885HTR3E 3045/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885ALDH1A1 1320/4885HTR3E 3045/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885ALDH1A1 1320/4885HTR3E 3045/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885ALDH1A1 1320/4885HTR3E 3045/4885

“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.