SCHEMBL6802384

SCHEMBL6802384

NC(CC1CCCCC1)C(=O)NCC(=O)c1oc(-c2cccnc2)nc1CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.38
RAB9A P51151 1/20 0.38
FPR2 P25090 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
IKBKB O14920 1/20 0.36
KCNH2 Q12809 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
CIT O14578 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
GBA1 P04062 1/20 0.35
REN P00797 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
LMNA P02545 1/20 0.34
GPR132 Q9UNW8 1/20 0.33
HTR6 P50406 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
SCHEMBL6798242 0.92 RAB9A (0.39) BMP1RAB9AFPR2ALDH1A1GAA
SCHEMBL6806971 0.91 AAK1 (0.43) BMP1RAB9AALDH1A1GAAIKBKB
SCHEMBL7361089 0.86 IKBKB (0.39) BMP1RAB9AFPR2ALDH1A1GAA
SCHEMBL7357734 0.82 RAB9A (0.39) BMP1RAB9AALDH1A1GAAIKBKB
SCHEMBL6806965 0.81 RAB9A (0.38) BMP1RAB9AFPR2ALDH1A1GAA
SCHEMBL6800783 0.81 RAB9A (0.36) RAB9AAAK1HDAC1HDAC2
SCHEMBL6803053 0.80 MAPT (0.42) RAB9AHDAC1HDAC2
SCHEMBL7361087 0.80 RAB9A (0.34) BMP1RAB9AFPR2ALDH1A1GAA
SCHEMBL6800330 0.76 AAK1 (0.45) RAB9AALDH1A1IKBKBAAK1
SCHEMBL6798235 0.74 RAB9A (0.36) BMP1RAB9AALDH1A1GAAIKBKB

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 BMP1 3129/4885RAB9A 256/4885FPR2 2353/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV BMP1 3129/4885RAB9A 256/4885FPR2 2353/4885

“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.