SCHEMBL4699281

SCHEMBL4699281

O=C(O)c1conc1-c1ccc(N2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.49
ALDH1A1 P00352 3/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 2/20 0.43
FGFR1 P11362 2/20 0.42
FGFR2 P21802 1/20 0.42
ADRB1 P08588 3/20 0.41
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
ACVR1 Q04771 4/20 0.41
KDM5B Q9UGL1 1/20 0.40
HTR6 P50406 1/20 0.40
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 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
SCHEMBL4700415 0.77 MAPT (0.51) ALDH1A1USP2TSHRHSD17B10LMNA
SCHEMBL4024790 0.74 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10
SCHEMBL1225673 0.73 PTGS2 (0.44) ALDH1A1TSHRKDM4ELMNA
SCHEMBL1776666 0.72 MAPK13 (0.49) KDM4ELMNA
SCHEMBL2929499 0.72 CDH1 (0.46) ALDH1A1TSHRKDM4ELMNA
SCHEMBL4022249 0.72 TPMT (0.39) KDM4E
SCHEMBL27934992 0.72 PTGS2 (0.43) ALDH1A1TSHRKDM4ELMNA
SCHEMBL15776026 0.72 SLC22A12 (0.39)
SCHEMBL25778929 0.70 MAPK14 (0.46) ALDH1A1HSD17B10KDM4E
SCHEMBL598515 0.70 ALDH1A1 (0.72) ALDH1A1USP2TSHRHSD17B10KDM4E

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
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US disclosed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP disclosed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 WO 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ MAPKAPK2 2281/4885ALDH1A1 4582/4885USP2 339/4885

“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.