SCHEMBL2195172

SCHEMBL2195172

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SLC6A3 Q01959 5/20 0.42
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A4 P31645 3/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 2/20 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
SCHEMBL14276807 0.84 TSHR (0.44) TSHRHTTSLC6A3SLC6A2SLC6A4
SCHEMBL2198121 0.84 TSHR (0.44) TSHRHTTSLC6A3SLC6A2SLC6A4
SCHEMBL2198761 0.81 HTT (0.41) MEN1GAAKMT2ATSHRHTT
SCHEMBL7899722 0.81 RORC (0.43) SLC6A3SLC6A2SLC6A4
SCHEMBL2197844 0.81 SLC6A3 (0.43) MEN1GAAKMT2ATSHRHTT
SCHEMBL2198028 0.81 PDE4A (0.46) MEN1GAAKMT2ATSHRHTT
SCHEMBL6257 0.79 TSHR (0.48) MEN1KMT2ATSHRHTTSLC6A3
SCHEMBL439856 0.79 TSHR (0.48) MEN1KMT2ATSHRHTTSLC6A3
SCHEMBL1000358 0.79 TSHR (0.48) MEN1KMT2ATSHRHTTSLC6A3
SCHEMBL6256 0.79 TSHR (0.48) MEN1KMT2ATSHRHTTSLC6A3

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 MEN1 4289/4885GAA 657/4885KMT2A 34/4885

“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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