SCHEMBL20187198

SCHEMBL20187198

O=C1N(c2cccc(Cl)c2)CN(c2ccccc2)C12CCNCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 6/20 0.54
HSD17B10 Q99714 2/20 0.49
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44
HTT P42858 1/20 0.44
HTR3A P46098 1/20 0.44

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
SCHEMBL20187016 0.88 HSD17B10 (0.57) DDR1HSD17B10CYP2D6OPRM1OPRD1
SCHEMBL20187089 0.83 DDR1 (0.58) DDR1HSD17B10OPRM1OPRD1OPRK1
SCHEMBL20187035 0.83 DDR1 (0.57) DDR1HSD17B10HTR3EHTR3BTHRB
SCHEMBL17149483 0.81 OPRM1 (0.46) DDR1HSD17B10TP53CYP1A2CYP2D6
SCHEMBL319163 0.80 OPRM1 (0.51) DDR1HSD17B10TP53CYP1A2CYP2D6
SCHEMBL319018 0.80 DDR1 (0.49) DDR1HSD17B10HTR2AOPRD1DRD2
Hydrochloric Acid SCHEMBL17140663 0.80 OPRM1 (0.45) DDR1HSD17B10TP53CYP1A2CYP2D6
SCHEMBL20187023 0.79 DDR1 (0.55) DDR1HSD17B10OPRM1OPRD1OPRK1
SCHEMBL20187107 0.77 DDR1 (0.53) DDR1HSD17B10HTR2AOPRM1OPRD1
SCHEMBL20187108 0.76 DDR1 (0.60) DDR1HSD17B10HTR2AOPRM1OPRD1

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 1/4885HSD17B10 2768/4885TP53 1193/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 DDR1 1/4885HSD17B10 2768/4885TP53 1193/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885HSD17B10 2768/4885TP53 1193/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 DDR1 1/4885HSD17B10 2768/4885TP53 1193/4885

“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.