SCHEMBL7899722

SCHEMBL7899722

CC(C)N1CC(C(=O)O)C(c2ccc(Br)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.42
▸ MC4R P32245 7/20 0.41
▸ SLC6A2 P23975 3/20 0.40
▸ SLC6A4 P31645 3/20 0.40
▸ SLC6A3 Q01959 3/20 0.40
▸ TLR2 O60603 1/20 0.39
▸ TLR1 Q15399 1/20 0.39
▸ AGTR2 P50052 1/20 0.37

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
SCHEMBL19806288 0.85 HRH3 (0.56) HRH3MC4RSLC6A2SLC6A4SLC6A3
SCHEMBL6310157 0.85 MC4R (0.54) MC4R
SCHEMBL6310150 0.85 MC4R (0.54) MC4R
SCHEMBL6310147 0.85 MC4R (0.54) MC4R
Hydrochloric Acid SCHEMBL20994284 0.84 HRH3 (0.54) HRH3MC4RSLC6A4SLC6A3
SCHEMBL2195172 0.81 MEN1 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL29327210 0.78 RORC (0.42) RORCHRH3MC4RSLC6A2SLC6A4
SCHEMBL21029282 0.78 RORC (0.42) RORCHRH3MC4RSLC6A2SLC6A4
SCHEMBL29327209 0.78 RORC (0.42) RORCHRH3MC4RSLC6A2SLC6A4
SCHEMBL7086546 0.75 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3

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-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

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 RORC 1997/4885HRH3 63/4885MC4R 3157/4885

“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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