SCHEMBL21967952

SCHEMBL21967952

CCc1c[nH]c2ccc(C3=CCN(C(=O)O)CC3)cc12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 19/20 0.55
▸ HTR1B P28222 19/20 0.55
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL28725598 0.92 HTR1D (0.56) HTR1DHTR1BKMT2A
SCHEMBL28725580 0.89 HTR1D (0.52) HTR1DHTR1BMEN1LMNAMAPT
SCHEMBL25223587 0.88 HTR1D (0.51) HTR1DHTR1BMEN1LMNAMAPT
SCHEMBL28725616 0.88 HTR1D (0.59) HTR1DHTR1B
SCHEMBL28435263 0.86 MAPT (0.50) HTR1DHTR1BMEN1LMNAMAPT
SCHEMBL29555827 0.85 GABRP (0.51) HTR1DHTR1B
SCHEMBL19761221 0.85 GABRP (0.51) HTR1DHTR1B
SCHEMBL20557557 0.83 MEN1 (0.47) HTR1DHTR1BMEN1LMNAMAPT
SCHEMBL29555690 0.83 MEN1 (0.47) HTR1DHTR1BMEN1LMNAMAPT
SCHEMBL28725841 0.80 HTR1D (0.38) HTR1DHTR1BMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111448190-B Substituted indole compounds 百时美施贵宝公司 2023-09-26 — — CN disclosed
CN-109923108-B Pyridyl-substituted indole compounds 百时美施贵宝公司 2022-04-29 — — CN 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
CN-111448190-A Substituted indole compounds 百时美施贵宝公司 2020-07-24 — — CN disclosed
US-10660877-B2 Pyridyl substituted indole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-05-26 — — 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 (1 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-10660877-B2 Pyridyl substituted indole compounds TLR7, TLR9, TLR1 HTR1D 745/4885HTR1B 550/4885MEN1 2013/4885

“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.

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