SCHEMBL5639773

SCHEMBL5639773

C=CCN(C)C/C=C/COc1ccc2c(c1)CCCN2C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
NR3C1 P04150 2/20 0.44
ALDH1A1 P00352 4/20 0.42
TSHR P16473 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDK1 Q15118 3/20 0.40
PDK2 Q15119 3/20 0.40
PDK3 Q15120 3/20 0.40
PDK4 Q16654 3/20 0.40
CA7 P43166 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
SCHEMBL5639777 1.00 LSS (0.46) LSSCA1CA2CA9CA14
SCHEMBL5637703 0.91 LSS (0.48) LSSCA1CA2CA9CA14
SCHEMBL5637700 0.91 LSS (0.48) LSSCA1CA2CA9CA14
SCHEMBL5639013 0.90 LSS (0.49) LSSCA1CA2CA9CA14
SCHEMBL5639020 0.90 LSS (0.49) LSSCA1CA2CA9CA14
SCHEMBL5637038 0.89 LSS (0.61) LSSCA1CA2CA9CA14
SCHEMBL5637672 0.89 LSS (0.48) LSSCA1CA2CA9CA14
SCHEMBL5637042 0.89 LSS (0.61) LSSCA1CA2CA9CA14
SCHEMBL5637679 0.89 LSS (0.48) LSSCA1CA2CA9CA14
SCHEMBL5637566 0.87 LSS (0.48) LSSCA1CA2CA9CA14

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 2/4885CA1 2837/4885CA2 2617/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 LSS 2/4885CA1 2837/4885CA2 2617/4885

“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.