SCHEMBL19838431

SCHEMBL19838431

CNCCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C)c3c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 20/20 1.00
TLR7 Q9NYK1 17/20 1.00
TLR8 Q9NR97 3/20 0.90
TLR4 O00206 2/20 0.90
TLR3 O15455 2/20 0.90

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
SCHEMBL29555446 1.00 TLR9 (1.00) TLR9TLR7TLR8TLR4TLR3
SCHEMBL19839195 0.94 TLR9 (1.00) TLR9TLR7TLR8TLR4TLR3
Hydrochloric Acid SCHEMBL19838783 0.94 TLR9 (0.98) TLR9TLR7TLR8TLR4TLR3
Hydrochloric Acid SCHEMBL29555536 0.94 TLR9 (0.98) TLR9TLR7TLR8TLR4TLR3
SCHEMBL29555563 0.90 TLR9 (0.82) TLR9TLR7TLR8TLR4TLR3
SCHEMBL19838706 0.90 TLR9 (0.82) TLR9TLR7TLR8TLR4TLR3
SCHEMBL19838366 0.88 TLR9 (0.81) TLR9TLR7TLR8TLR4TLR3
SCHEMBL29555646 0.88 TLR9 (0.81) TLR9TLR7TLR8TLR4TLR3
SCHEMBL19850067 0.87 TLR7 (0.79) TLR9TLR7TLR8TLR4TLR3
SCHEMBL19838376 0.86 TLR9 (0.78) TLR9TLR7TLR8TLR4TLR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 US claimed
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 US claimed
EP-3490983-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS Bristol-Myers Squibb Company (US) 2019-06-05 EP claimed
WO-2018026620-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-08 WO claimed
US-20240016813-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION Accencio LLC 2024-01-18 US disclosed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 TLR9 1/4885TLR7 2/4885TLR8 3/4885
US-20240016813-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION ACE2, ACE, TMPRSS2 TLR9 1190/4885TLR7 1436/4885TLR8 878/4885
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors TLR9, TLR7, TLR8 TLR9 1/4885TLR7 2/4885TLR8 3/4885

“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.