SCHEMBL18986945

SCHEMBL18986945

CC(C)(C)OC(=O)N1CC2CCC(C1)C2OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
GPR119 Q8TDV5 3/20 0.49
STS P08842 1/20 0.47
NR1H2 P55055 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
NAMPT P43490 1/20 0.45
KLK7 P49862 1/20 0.45
USP30 Q70CQ3 2/20 0.44
RORC P51449 1/20 0.44
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
YAP1 P46937 1/20 0.43
HSD11B1 P28845 1/20 0.42
LMNA P02545 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 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
SCHEMBL18986857 0.88 GPR119 (0.50) JAK2JAK1GPR119NR1H2USP30
SCHEMBL18986855 0.88 GPR119 (0.50) JAK2JAK1GPR119NR1H2USP30
SCHEMBL18986856 0.88 GPR119 (0.50) JAK2JAK1GPR119NR1H2USP30
SCHEMBL20588384 0.87 JAK2 (0.47) JAK2JAK1GPR119STSKDM4E
SCHEMBL9938446 0.84 PRMT5 (0.51) JAK2JAK1GPR119STSNR1H2
SCHEMBL6095209 0.83 JAK2 (0.53) JAK2JAK1GPR119STSNR1H2
SCHEMBL30993456 0.83 JAK2 (0.53) JAK2JAK1GPR119STSNR1H2
SCHEMBL31288410 0.83 JAK2 (0.53) JAK2JAK1GPR119STSNR1H2
SCHEMBL18986859 0.83 PDPK1 (0.45) SMN1; SMN2HSD11B1
SCHEMBL2978399 0.81 BACE1 (0.49) JAK2JAK1GPR119STSKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368112-B Therapeutic compounds, compositions, and methods of use thereof 豪夫迈·罗氏有限公司 2021-11-02 CN disclosed
US-10189836-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2019-01-29 US disclosed
EP-3390402-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2018-10-24 EP disclosed
EP-3390396-A1 ISOINDOLE COMPOUNDS Astrazeneca AB (SE) 2018-10-24 EP disclosed
US-20180297997-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-18 US disclosed
WO-2017102784-A9 ISOINDOLE COMPOUNDS ASTRAZENECA AB (SE) 2018-04-05 WO disclosed
WO-2017102784-A1 ISOINDOLE COMPOUNDS ASTRAZENECA AB (SE) 2017-06-22 WO disclosed
WO-2017103188-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 WO 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 (2 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-10189836-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885GPR119 1598/4885
US-20180297997-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885GPR119 1598/4885

“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.