SCHEMBL2162836

SCHEMBL2162836

O=C([C@@H](O)Cc1ccccc1)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.64
FKBP1A P62942 1/20 0.55
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 3/20 0.52
KDM1A O60341 1/20 0.51
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 1/20 0.49
CHRM1 P11229 2/20 0.48
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2162843 1.00 MMP8 (0.64) MMP8FKBP1AALDH1A1MEN1KMT2A
SCHEMBL5479757 1.00 MMP8 (0.64) MMP8FKBP1AALDH1A1MEN1KMT2A
SCHEMBL10447907 0.85 TSHR (0.61) MEN1KMT2ATSHRHSD17B10CHRM1
SCHEMBL9442942 0.85 TSHR (0.57) ALDH1A1MEN1KMT2ATSHRHSD17B10
SCHEMBL9442990 0.85 TSHR (0.61) MEN1KMT2ATSHRHSD17B10CHRM1
SCHEMBL12196227 0.85 FKBP1A (0.60) MMP8FKBP1AALDH1A1MEN1KMT2A
SCHEMBL13271643 0.85 FKBP1A (0.60) MMP8FKBP1AALDH1A1MEN1KMT2A
SCHEMBL7328737 0.84 TSHR (0.64) MEN1KMT2ATSHRHSD17B10CHRM1
SCHEMBL7328742 0.84 TSHR (0.64) MEN1KMT2ATSHRHSD17B10CHRM1
SCHEMBL5421721 0.84 MMP8 (0.60) MMP8FKBP1AALDH1A1MEN1KMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP disclosed
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP disclosed
US-8268996-B2 Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2012-09-18 US disclosed
US-8268996-B2 Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2012-09-18 US disclosed
US-8268996-B2 Compounds and compositions as cathepsin S inhibitors IRM LLC (BM) 2012-09-18 US disclosed
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS NOVARTIS AG 2011-10-06 US disclosed
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS NOVARTIS AG 2011-10-06 US disclosed
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS NOVARTIS AG 2011-10-06 US disclosed
US-7985749-B2 Compounds and compositions as cathepsin S inhibitors NOVARTIS AG (CH) 2011-07-26 US disclosed
US-7985749-B2 Compounds and compositions as cathepsin S inhibitors NOVARTIS AG (CH) 2011-07-26 US disclosed
US-7985749-B2 Compounds and compositions as cathepsin S inhibitors NOVARTIS AG (CH) 2011-07-26 US disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US disclosed
US-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 US disclosed
US-20060063762-A1 Indole indazole and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514869-A1 INDOLE, INDAZOLE, AND BENZAZOLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-03-16 EP disclosed
US-5268374-A Containing both amide and hydroxy groups ABBOTT LABORATORIES (US) 1993-12-07 US disclosed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 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 (3 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-20060063762-A1 Indole indazole and benzazole derivative ADRB3, ADRA2C, ADRB2 MMP8 4052/4885FKBP1A 4687/4885ALDH1A1 847/4885
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSF MMP8 93/4885FKBP1A 1646/4885ALDH1A1 3425/4885
US-20110245243-A1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS CTSS, CTSB, CTSF MMP8 93/4885FKBP1A 1646/4885ALDH1A1 3425/4885

“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.