SCHEMBL29868024

SCHEMBL29868024

Cc1cc(C)c(C(C)(C)CCO[Si](C)(C)C(C)(C)C)c(OP(=O)(OCc2ccccc2)OCc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 1/20 0.33
▸ ELANE P08246 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ MRGPRX4 Q96LA9 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL8790985 1.00 BTN3A1 (0.33) BTN3A1ELANETSHRMRGPRX4MEN1
SCHEMBL2750626 0.88 BTN3A1 (0.35) BTN3A1TSHRMEN1KMT2A
SCHEMBL1455705 0.86 ALDH1A1 (0.31) TSHR
SCHEMBL12617873 0.86 MEN1 (0.34) MEN1KMT2A
SCHEMBL8791075 0.83 TSHR (0.37) TSHRMRGPRX4MEN1KMT2A
SCHEMBL30392886 0.82 — —
SCHEMBL1455707 0.80 INPPL1 (0.33) —
SCHEMBL29572668 0.79 CETP (0.38) TSHRMRGPRX4MEN1KMT2A
SCHEMBL8791231 0.79 SRC (0.36) TSHRMRGPRX4MEN1KMT2A
SCHEMBL1462554 0.79 CETP (0.38) TSHRMRGPRX4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025045772-A1 3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-4-YL DERIVATIVES COMPASS PATHFINDER LIMITED (GB) 2025-03-06 — — WO disclosed
US-20250066394-A1 3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-4-yl DERIVATIVES COMPASS PATHFINDER LIMITED (GB) 2025-02-27 — — US disclosed
US-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-20 — — 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 (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-20250066394-A1 3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-4-yl DERIVATIVES HTR2C, HTR2A, HTR3A BTN3A1 4261/4885ELANE 3380/4885TSHR 126/4885
US-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT BTN3A1 2486/4885ELANE 2257/4885TSHR 3245/4885

“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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