SCHEMBL2198153

SCHEMBL2198153

CCOC(=O)C1CN(CC(F)(F)F)CC1c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC18A2 Q05940 10/20 0.43
▸ RORC P51449 1/20 0.43
▸ SLC6A3 Q01959 6/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL2762408 0.89 SLC18A2 (0.44) SLC18A2RORCSLC6A3HTR2A
SCHEMBL2198983 0.88 RORC (0.43) SLC18A2RORCSLC6A3HTR2ATSHR
SCHEMBL2199609 0.85 SLC6A3 (0.47) SLC18A2RORCSLC6A3HTR2ATSHR
SCHEMBL2197844 0.84 SLC6A3 (0.43) SLC18A2RORCSLC6A3HTR2ATSHR
SCHEMBL2762002 0.82 PDE4B (0.45) SLC18A2SLC6A3HTR2ATSHRHTT
SCHEMBL2196703 0.81 PDE4A (0.44) SLC18A2SLC6A3HTR2ATSHRHTT
SCHEMBL2197505 0.81 RORC (0.68) SLC18A2RORCSLC6A3HTR2A
SCHEMBL2198121 0.80 TSHR (0.44) SLC6A3TSHRHTT
SCHEMBL14276807 0.80 TSHR (0.44) SLC6A3TSHRHTT
SCHEMBL2198761 0.80 HTT (0.41) SLC18A2SLC6A3TSHRHTTMEN1

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 SLC18A2 2805/4885RORC 1997/4885SLC6A3 4126/4885

“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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