SCHEMBL2198761

SCHEMBL2198761

CCOC(=O)C1CN(C(C)(C)C)CC1c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ SLC18A2 Q05940 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
SCHEMBL2198121 0.83 TSHR (0.44) HTTTSHRALDH1A1SLC6A3
SCHEMBL14276807 0.83 TSHR (0.44) HTTTSHRALDH1A1SLC6A3
SCHEMBL2198983 0.82 RORC (0.43) HTTTSHRPDE4APDE4BPDE4C
SCHEMBL21029282 0.81 RORC (0.42) ALDH1A1SLC6A3LMNAKMT2A
SCHEMBL29327209 0.81 RORC (0.42) ALDH1A1SLC6A3LMNAKMT2A
SCHEMBL29327210 0.81 RORC (0.42) ALDH1A1SLC6A3LMNAKMT2A
SCHEMBL2195172 0.81 MEN1 (0.44) HTTTSHRPDE4APDE4BPDE4C
SCHEMBL2196703 0.80 PDE4A (0.44) HTTTSHRPDE4APDE4BPDE4C
SCHEMBL2198153 0.80 SLC18A2 (0.43) HTTTSHRSLC6A3MEN1GAA
SCHEMBL7182 0.78 TSHR (0.48) HTTTSHRMAPTPKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977372-B2 Ortho aminoamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2011-07-12 — — US disclosed
US-7977372-B2 Ortho aminoamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2011-07-12 — — US disclosed
US-7977372-B2 Ortho aminoamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2011-07-12 — — US disclosed
WO-2010094678-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 — — WO disclosed
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-08-26 — — US disclosed
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-08-26 — — US disclosed
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-08-26 — — 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 (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-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HDAC5, HDAC1, HDAC4 HTT 3165/4885TSHR 2931/4885PDE4A 2448/4885

“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.

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