SCHEMBL3600635

SCHEMBL3600635

CC(Cl)OC(=O)N1CCC(c2ccccc2)(C(N)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.44
OPRD1 P41143 4/20 0.44
OPRK1 P41145 4/20 0.44
TACR1 P25103 1/20 0.40
OPRM1 P35372 2/20 0.38
HSD17B10 Q99714 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
APP P05067 1/20 0.37
FNTA P49354 1/20 0.37
PGGT1B P53609 1/20 0.37
MGLL Q99685 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL973881 0.80 TSHR (0.54) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL3600637 0.78 TSHR (0.48) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL17886660 0.77 TSHR (0.60) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL7243316 0.75 SLC6A4 (0.39) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL3901076 0.75 SLC6A4 (0.39) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL17886656 0.74 TSHR (0.54) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL18627267 0.74 MEN1 (0.48) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL18627496 0.74 MEN1 (0.50) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL10306256 0.72 GPR119 (0.45) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL10324681 0.71 TSHR (0.56) TSHRALOX15ATMOPRD1OPRK1

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-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
CN-101671310-A Compounds and compositions useful as cathepsin s inhibitors NOVARTIS AG 2010-03-17 CN disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
CN-101035768-A Compounds and compositions as cathepsin S inhibitors NOVARTIS AG (CH) 2007-09-12 CN disclosed
EP-1781623-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS Novartis AG (CH) 2007-05-09 EP disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF TSHR 3294/4885ALOX15 4314/4885ATM 3422/4885

“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.