SCHEMBL2202193

SCHEMBL2202193

CC(C)(C)OC(=O)N1CC(C(=O)Nc2ccc(Cl)cc2)C(c2ccc(Br)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 9/20 0.51
FPR3 P25089 6/20 0.51
PDE4B Q07343 2/20 0.48
MC4R P32245 2/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
TACR1 P25103 1/20 0.46
RORC P51449 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL6065156 0.82 RAB9A (0.52) FPR2FPR3PTPN2PTPN1PTPN6
SCHEMBL23951495 0.82 TACR1 (0.61) PDE4BPTPN2PTPN1PTPN6TACR1
SCHEMBL6065161 0.82 RAB9A (0.52) FPR2FPR3PTPN2PTPN1PTPN6
SCHEMBL25846829 0.80 PDE4B (0.70) FPR2PDE4BTACR1RORCSLC6A2
SCHEMBL16108164 0.80 PDE4B (0.70) PDE4BMC4R
SCHEMBL16108163 0.80 PDE4B (0.70) PDE4BMC4R
SCHEMBL13525809 0.80 PDE4B (0.70) PDE4BMC4R
SCHEMBL12592456 0.80 PDE4B (0.58) PDE4BMC4RTACR1RORC
SCHEMBL1267217 0.80 PDE4B (0.58) PDE4BMC4RTACR1RORC
SCHEMBL7890064 0.80 PDE4B (0.58) FPR2FPR3PDE4BMC4RTACR1

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 6 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

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 FPR2 4672/4885FPR3 4730/4885PDE4B 2690/4885

“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.