SCHEMBL3593944

SCHEMBL3593944

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.48
CHRM5 P08912 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
KCNA3 P22001 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
P2RX7 Q99572 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NPFFR1 Q9GZQ6 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.44
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
KCNH2 Q12809 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3600637 0.85 TSHR (0.48) TACR1CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL13320953 0.84 NPFFR1 (0.62) CHRM5CHRM1CHRM3NPFFR1NPFFR2
SCHEMBL5571567 0.83 P2RX7 (0.56) TACR1CHRM5CHRM1CHRM3KCNA3
SCHEMBL973882 0.83 TACR1 (0.56) TACR1SMN1; SMN2P2RX7
SCHEMBL3595473 0.81 OPRM1 (0.47) TACR1CHRM5CHRM1CHRM3KCNA3
SCHEMBL21158211 0.81 KCNA3 (0.59) CHRM5CHRM1CHRM3KCNA3SMN1; SMN2
SCHEMBL3900140 0.81 KCNA3 (0.47) KCNA3SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3908651 0.81 KCNA3 (0.47) KCNA3SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3900137 0.81 KCNA3 (0.47) KCNA3SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4517495 0.80 NPFFR1 (0.57) CHRM5CHRM1CHRM3NPFFR1NPFFR2

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 2 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
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US 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 TACR1 252/4885CHRM5 2113/4885CHRM1 1048/4885

“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.