SCHEMBL6800778

SCHEMBL6800778

CN(Cc1nc(-c2ccccc2)oc1C(=O)CNC(=O)[CH]CC1CCCCC1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
PDE10A Q9Y233 1/20 0.35
NPC1 O15118 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE8B O95263 7/20 0.35
KDM4E B2RXH2 4/20 0.34
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSP90AA1 P07900 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL6803048 0.79 RAB9A (0.36) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6798235 0.77 RAB9A (0.36) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL6800783 0.76 RAB9A (0.36) RAB9APDE10ANPC1MEN1KMT2A
SCHEMBL6802589 0.74 KDM4E (0.37) RAB9APDE10ANPC1TP53KDM4E
SCHEMBL6801160 0.74 KDM4E (0.37) RAB9APDE10ANPC1TP53KDM4E
SCHEMBL6802381 0.72 CNR1 (0.37) TP53LMNA
SCHEMBL6806965 0.70 RAB9A (0.38) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL7361087 0.68 RAB9A (0.34) RAB9ATP53PPARGPPARAALDH1A1
SCHEMBL6801170 0.66 HDAC1 (0.39) RAB9ANPC1KMT2AKDM4EPPARG
SCHEMBL6803053 0.66 MAPT (0.42) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 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 (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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV RAB9A 256/4885PDE10A 3107/4885NPC1 239/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV RAB9A 256/4885PDE10A 3107/4885NPC1 239/4885

“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.