SCHEMBL4870019

SCHEMBL4870019

C[C@H](NC(=O)OCc1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.50
CTSS P25774 2/20 0.50
ATM Q13315 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SYK P43405 1/20 0.47
TACR1 P25103 1/20 0.47
NPC1 O15118 1/20 0.47
ELANE P08246 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTRB1 P17538 1/20 0.46

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
SCHEMBL3483760 0.85 TP53 (0.53) CTSKCTSLCTSBCTSSATM
SCHEMBL3487855 0.85 TP53 (0.53) CTSKCTSLCTSBCTSSATM
SCHEMBL1644719 0.85 TP53 (0.53) CTSKCTSLCTSBCTSSATM
SCHEMBL5898328 0.84 ATM (0.60) CTSKCTSLCTSBCTSSATM
SCHEMBL5898129 0.84 CTSK (0.59) CTSKCTSLCTSBCTSSLMNA
SCHEMBL5325046 0.84 CTSK (0.59) CTSKCTSLCTSBCTSSLMNA
SCHEMBL5325045 0.84 CTSK (0.59) CTSKCTSLCTSBCTSSLMNA
SCHEMBL27752931 0.82 POLB (0.57) CTSKCTSLCTSBCTSSATM
SCHEMBL12190794 0.81 CTSK (0.48) CTSKCTSLCTSBCTSSATM
SCHEMBL1060083 0.81 CTSK (0.48) CTSKCTSLCTSBCTSSATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361648-B2 Heterocyclylakylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC (US) 2008-04-22 US disclosed
US-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC 2006-12-21 US disclosed
US-7094778-B2 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-08-22 US disclosed
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists DVORAK CHARLES ALOIS (US) 2004-05-06 US disclosed
US-6667301-B2 Therapy for muscular disorders, urogenital disorders, gastrointestinal disorders, respiratory system disorders SYNTEX (U.S.A.) LLC 2003-12-23 US disclosed
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 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 (3 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-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM3 CTSK 2785/4885CTSL 2738/4885CTSB 3471/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CTSK 2643/4885CTSL 2318/4885CTSB 3280/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CTSK 2643/4885CTSL 2318/4885CTSB 3280/4885

“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.