SCHEMBL4799862

SCHEMBL4799862

NC(=O)[C@@H]1Cc2cc(F)ccc2N1CCNC(=O)[CH]CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.39
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
OPRL1 P41146 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
NAMPT P43490 2/20 0.33
CTSL P07711 2/20 0.33
CTSK P43235 2/20 0.33
DPP4 P27487 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
DPP9 Q86TI2 1/20 0.32
KMO O15229 1/20 0.31

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
SCHEMBL3024687 1.00 CTSS (0.39) CTSSRAB9ANPC1OPRL1OPRM1
SCHEMBL4800511 0.84 CTSS (0.41) CTSSCTSLCTSK
SCHEMBL4798010 0.79 CTSS (0.59) CTSSCTSLCTSK
SCHEMBL3017456 0.70 RAB9A (0.40) CTSSRAB9ANPC1CTSLPOLB
SCHEMBL5352707 0.69 NOTUM (0.35) RAB9ANPC1OPRM1OPRK1ALDH1A1
SCHEMBL4798400 0.66 CTSS (0.55) CTSSCTSLCTSK
SCHEMBL3007945 0.64 CTSS (0.55) CTSSOPRL1OPRM1OPRK1CTSL
SCHEMBL4801079 0.64 CTSS (0.55) CTSSOPRL1OPRM1OPRK1CTSL
SCHEMBL6685463 0.63 CTSS (0.43) CTSSRAB9ANPC1OPRL1OPRM1
SCHEMBL1760504 0.63 NOTUM (0.48) RAB9ANPC1ALDH1A1HTT

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-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US claimed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US claimed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 US disclosed
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 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-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885RAB9A 905/4885NPC1 82/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885RAB9A 905/4885NPC1 82/4885

“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.