SCHEMBL5638778

SCHEMBL5638778

C=CCN(C)C/C=C/COc1ccc2c(c1)CCCN2C(=O)c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.45
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 1/20 0.39
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
GAA P10253 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MEN1 O00255 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
SCHEMBL5638781 1.00 LSS (0.45) LSSTSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL5638066 0.89 IDO1 (0.48) LSSTSHRSMN1; SMN2CA1CA2
SCHEMBL5638063 0.89 IDO1 (0.48) LSSTSHRSMN1; SMN2CA1CA2
SCHEMBL5639619 0.88 LSS (0.50) LSSTSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL5639232 0.87 LSS (0.52) LSSTSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL5639013 0.85 LSS (0.49) LSSTSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL5639020 0.85 LSS (0.49) LSSTSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL5638734 0.85 POLB (0.51) LSSTSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL5638727 0.85 POLB (0.51) LSSTSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL5637038 0.84 LSS (0.61) LSSTSHRMAPTALDH1A1POLB

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 5 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
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
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 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-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 LSS 2/4885TSHR 4280/4885SMN1; SMN2 4761/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 LSS 2/4885TSHR 4280/4885SMN1; SMN2 4761/4885

“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.