SCHEMBL5525546

SCHEMBL5525546

O=C(O)C(CC1CCCCC1)C(=O)N1CCCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HTT P42858 1/20 0.61
POLB P06746 2/20 0.57
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.50
NOTUM Q6P988 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GRM7 Q14831 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL5520854 0.94 NPC1 (0.53) NPSR1MEN1KMT2AHTTPOLB
SCHEMBL5524295 0.85 NPSR1 (0.50) NPSR1MEN1KMT2AHTTPOLB
SCHEMBL6112109 0.80 TSHR (0.61) NPSR1MEN1KMT2AHTTPOLB
SCHEMBL5673917 0.80 POLB (0.47) NPSR1MEN1KMT2AHTTPOLB
SCHEMBL5523722 0.80 CTSL (0.51) NPSR1MEN1KMT2AHTTPOLB
SCHEMBL5520623 0.77 DPP8 (0.60) NPSR1MEN1KMT2AHTTPOLB
SCHEMBL23834202 0.75 SMN1; SMN2 (0.58) NPSR1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL23834200 0.75 SMN1; SMN2 (0.58) NPSR1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL10144052 0.73 POLB (1.00) NPSR1MEN1KMT2AHTTPOLB
SCHEMBL8358854 0.73 KMT2A (0.68) NPSR1MEN1KMT2AHTTPOLB

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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
EP-1399146-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARM INC (US) 2006-01-18 EP disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US disclosed
EP-1399146-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-24 EP disclosed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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 (2 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE NPSR1 586/4885MEN1 4485/4885KMT2A 4623/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV NPSR1 1258/4885MEN1 3967/4885KMT2A 4281/4885

“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.