SCHEMBL5175446

SCHEMBL5175446

CCCC(C)(C)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.55
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
BACE2 Q9Y5Z0 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MLYCD O95822 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FAAH O00519 1/20 0.46

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
SCHEMBL5177697 0.91 BACE1 (0.57) BACE1LMNANPC1RAB9AMEN1
SCHEMBL3235987 0.87 BACE1 (0.60) BACE1LMNANPC1RAB9AMEN1
SCHEMBL5178510 0.83 BACE1 (0.56) BACE1LMNANPC1RAB9AMEN1
SCHEMBL9849523 0.83 MEN1 (0.70) BACE1LMNANPC1RAB9AMEN1
SCHEMBL3572811 0.82 BACE1 (0.60) BACE1LMNANPC1RAB9AMEN1
SCHEMBL3571475 0.82 BACE1 (0.60) BACE1LMNANPC1RAB9AMEN1
SCHEMBL5634291 0.81 BACE1 (0.54) BACE1LMNANPC1RAB9AMEN1
SCHEMBL3578662 0.81 BACE1 (0.56) BACE1LMNANPC1RAB9AMEN1
SCHEMBL3581359 0.80 LMNA (0.60) BACE1LMNANPC1RAB9AMEN1
SCHEMBL23758509 0.79 ALDH1A1 (0.62) BACE1LMNANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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 (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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP BACE1 363/4885LMNA 697/4885NPC1 6/4885

“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.