SCHEMBL3600637

SCHEMBL3600637

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.47
TACR1 P25103 1/20 0.46
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MAPK1 P28482 1/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
CCR5 P51681 2/20 0.42
P2RX7 Q99572 2/20 0.42
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
DRD2 P14416 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
SCHEMBL3593944 0.85 TACR1 (0.48) TACR1SMN1; SMN2CHRM5CHRM1CHRM3
SCHEMBL13320953 0.81 NPFFR1 (0.62) CHRM5CHRM1CHRM3NPFFR1NPFFR2
SCHEMBL973882 0.80 TACR1 (0.56) TSHRALOX15TACR1ATMSMN1; SMN2
SCHEMBL8046845 0.78 TACR1 (0.54) TSHRALOX15TACR1ATMCHRM5
SCHEMBL20587500 0.78 TSHR (0.54) TSHRALOX15TACR1ATMSMN1; SMN2
SCHEMBL3600635 0.78 TSHR (0.48) TSHRALOX15TACR1ATMOPRD1
SCHEMBL559115 0.77 TACR1 (0.52) TSHRALOX15TACR1ATMCHRM5
SCHEMBL4517495 0.77 NPFFR1 (0.57) CHRM5CHRM1CHRM3NPFFR1NPFFR2
SCHEMBL21158211 0.76 KCNA3 (0.59) SMN1; SMN2CHRM5CHRM1CHRM3
SCHEMBL3595473 0.76 OPRM1 (0.47) TACR1SMN1; SMN2CHRM5CHRM1CHRM3

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 4314/4885TACR1 252/4885

“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.