Sugi Predict

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SCHEMBL6800783

SCHEMBL6800783

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.36
▸ METAP2 P50579 4/20 0.36
▸ METAP1 P53582 4/20 0.36
▸ CTSK P43235 2/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRM1 Q13255 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE8B O95263 1/20 0.34

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
SCHEMBL6803053 0.85 MAPT (0.42) RAB9AMETAP2METAP1CTSKCTSL
SCHEMBL6801170 0.83 HDAC1 (0.39) RAB9ANPC1KMT2AHDAC1HDAC2
SCHEMBL6802592 0.83 GAA (0.38) RAB9ANPC1HDAC1HDAC2HDAC8
SCHEMBL6802384 0.81 BMP1 (0.38) RAB9AHDAC1HDAC2AAK1
SCHEMBL6798242 0.80 RAB9A (0.39) RAB9ANPC1SMN1; SMN2AAK1
SCHEMBL6800778 0.76 RAB9A (0.35) RAB9APDE10AMEN1NPC1KMT2A
SCHEMBL6806971 0.73 AAK1 (0.43) RAB9ACTSKCTSLCTSSNPC1
SCHEMBL6801160 0.72 KDM4E (0.37) RAB9APDE10ANPC1HDAC1HDAC2
SCHEMBL6800014 0.71 SMN1; SMN2 (0.38) RAB9ACTSKCTSLMEN1NPC1
SCHEMBL6802589 0.70 KDM4E (0.37) RAB9APDE10ANPC1

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 256/4885METAP2 202/4885METAP1 123/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV RAB9A 256/4885METAP2 202/4885METAP1 123/4885

“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.