SCHEMBL5638012

SCHEMBL5638012

CCN(CC)CCCCOc1ccc2c(c1)CCCN2C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 3/20 0.42
MAOA P21397 3/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40
ACHE P22303 2/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5637187 0.91 MAOB (0.43) MAOBMAPTMAOAHSD17B10LMNA
SCHEMBL5637271 0.91 MAOB (0.43) MAOBMAPTMAOAHSD17B10LMNA
SCHEMBL5638932 0.89 KMT2A (0.43) MAOBKMT2AMAPTMAOAHSD17B10
SCHEMBL7218398 0.88 MAPT (0.46) KMT2AMAPTHSD17B10LMNAALDH1A1
SCHEMBL5638962 0.87 KMT2A (0.44) KMT2AMAPTHSD17B10LMNAALDH1A1
SCHEMBL5637162 0.86 KMT2A (0.43) KMT2AMAPTHSD17B10LMNAALDH1A1
SCHEMBL5638826 0.86 KMT2A (0.44) KMT2AMAPTHSD17B10LMNAALDH1A1
SCHEMBL5639200 0.85 LSS (0.49) KMT2A
SCHEMBL5637787 0.85 MAOB (0.48) MAOBMAPTMAOAHSD17B10LMNA
SCHEMBL5639077 0.85 LSS (0.51) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7102007-B2 Dihydroindole and tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-09-05 US disclosed
EP-1358162-B1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
CN-1208322-C Indoline and tetrahydroquinoline derivatives HOFFMANN LA ROCHE (CH) 2005-06-29 CN disclosed
US-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives AEBI JOHANNES (CH) 2005-01-27 US disclosed
US-6706751-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS HOFFMAN-LA ROCHE INC. 2004-03-16 US disclosed
EP-1358162-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 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 (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-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 MAOB 2147/4885KMT2A 2451/4885MAPT 3562/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 MAOB 2147/4885KMT2A 2451/4885MAPT 3562/4885

“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.