SCHEMBL19839980

SCHEMBL19839980

CC(C)(C)OC(=O)N1CCC(c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
PDE4B Q07343 1/20 0.50
TGFBR1 P36897 2/20 0.49
NAMPT P43490 1/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
GPR119 Q8TDV5 3/20 0.47
C5AR1 P21730 1/20 0.45
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
IGF1R P08069 1/20 0.44
HTT P42858 1/20 0.44
P2RY14 Q15391 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
SCHEMBL3327513 0.88 PDE4B (0.47) KDM4EPDE4BTGFBR1C5AR1
SCHEMBL28677741 0.85 KDM4E (0.51) KDM4EMAPTTHRBPDE4BNAMPT
SCHEMBL2883887 0.82 KDM4E (0.60) KDM4EMAPTTHRBPDE4BNAMPT
SCHEMBL9952336 0.82 FASN (0.52) KDM4EMAPTTHRBPDE4BNAMPT
SCHEMBL15642665 0.81 P2RY14 (0.49) KDM4EMAPTTHRBPDE4BNAMPT
SCHEMBL30456898 0.81 JAK2 (0.49) KDM4EMAPTTHRBTGFBR1JAK2
SCHEMBL30659252 0.81 GPR119 (0.49) KDM4EMAPTTHRBTGFBR1JAK2
SCHEMBL312418 0.81 ALDH1A1 (0.60) MAPTTGFBR1JAK1DDB1CRBN
SCHEMBL22576086 0.81 JAK2 (0.49) KDM4EMAPTTHRBTGFBR1JAK2
SCHEMBL31442816 0.81 GPR119 (0.49) KDM4EMAPTTHRBTGFBR1JAK2

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-109715617-B Dimethoxyphenyl-substituted indole compounds as inhibitors of TLR7, TLR8 or TLR9 百时美施贵宝公司 2022-04-19 CN disclosed
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 US disclosed
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 US disclosed
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 US disclosed
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 US disclosed
EP-3490983-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS Bristol-Myers Squibb Company (US) 2019-06-05 EP disclosed
WO-2018026620-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-08 WO disclosed
WO-2018026620-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-08 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-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS TLR9, TLR7, TLR8 KDM4E 730/4885MAPT 3901/4885THRB 826/4885
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors TLR9, TLR7, TLR8 KDM4E 717/4885MAPT 3903/4885THRB 814/4885

“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.