SCHEMBL4414772

SCHEMBL4414772

CC[Si](CC)(CC)OC(c1ccc2c(c1)CC(C)N2C(=O)Cc1ccccc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.44
▸ DRD4 P21917 6/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL4420596 0.76 SLC6A2 (0.33) —
SCHEMBL4415574 0.76 GAA (0.37) DRD2DRD4SMN1; SMN2ALDH1A1LMNA
SCHEMBL11481517 0.66 RORC (0.44) DRD2DRD4SMN1; SMN2ALDH1A1TP53
SCHEMBL1812437 0.63 NR1H3 (0.44) SMN1; SMN2ALDH1A1LMNAGAAMEN1
SCHEMBL1809676 0.61 NR1H3 (0.45) —
SCHEMBL15317570 0.61 ALDH1A1 (0.47) DRD2DRD4SMN1; SMN2HTTALDH1A1
SCHEMBL4423240 0.61 NOTUM (0.37) DRD2DRD4SMN1; SMN2ROCK1ALDH1A1
SCHEMBL4417792 0.61 ICMT (0.39) —
SCHEMBL13449010 0.60 DRD2 (0.78) DRD2DRD4MEN1KMT2A
SCHEMBL6588563 0.60 GPBAR1 (0.45) DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 — — EP disclosed
US-7485652-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2009-02-03 — — US disclosed
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators DEHMLOW HENRIETTA 2007-05-03 — — US disclosed
EP-1756096-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 — — EP disclosed
US-7173048-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2007-02-06 — — US disclosed
WO-2005105791-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 — — WO disclosed
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 — — 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-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators INSR, NR1H2, NR1H3 DRD2 590/4885DRD4 572/4885SMN1; SMN2 4376/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 DRD2 590/4885DRD4 572/4885SMN1; SMN2 4376/4885

“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.

Send feedback