SCHEMBL5639737

SCHEMBL5639737

CCN(CC)CCCCOc1ccc2c(c1)CCCN2C(=O)c1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
ESR1 P03372 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41

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
SCHEMBL5639619 0.86 LSS (0.50) TSHRMAPTALDH1A1POLBHPGD
SCHEMBL5639232 0.86 LSS (0.52) TSHRMAPTALDH1A1POLBHPGD
SCHEMBL5638021 0.84 MAPT (0.53) TSHRMAPTALDH1A1POLBHPGD
SCHEMBL5639937 0.84 MAPT (0.53) TSHRMAPTALDH1A1POLBHPGD
SCHEMBL5637787 0.82 MAOB (0.48) TSHRMAPTALDH1A1POLBHPGD
SCHEMBL5639952 0.81 LSS (0.52) LMNAMEN1KMT2A
SCHEMBL5638420 0.79 ALDH1A1 (0.46) TSHRMAPTALDH1A1POLBHPGD
SCHEMBL5639625 0.78 MAOB (0.44) TSHRMAPTALDH1A1POLBHPGD
SCHEMBL7218423 0.78 TSHR (0.55) TSHRMAPTALDH1A1POLBHPGD
SCHEMBL5637550 0.78 MAPT (0.47) TSHRMAPTALDH1A1POLBHPGD

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 9 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
CN-1481366-A Dihydroindole and tetrahydroquinoline derivatives - 2004-03-10 CN 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 TSHR 4280/4885MAPT 3562/4885ALDH1A1 1712/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 TSHR 4280/4885MAPT 3562/4885ALDH1A1 1712/4885

“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.