SCHEMBL5029129

SCHEMBL5029129

CC(C)(C)N(C(=O)O)[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)[C@H](Cn2ccccc2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
TACR1 P25103 2/20 0.38
TLR4 O00206 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
CTSB P07858 3/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 2/20 0.36
LMNA P02545 1/20 0.36
CTSS P25774 2/20 0.35

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
SCHEMBL5029137 1.00 CPB1 (0.43) CPB1SMN1; SMN2TACR1TLR4ALDH1A1
SCHEMBL5030515 0.84 CPB1 (0.50) CPB1SMN1; SMN2TACR1TLR4ALDH1A1
SCHEMBL5030509 0.84 CPB1 (0.50) CPB1SMN1; SMN2TACR1TLR4ALDH1A1
SCHEMBL31650770 0.81 CPB1 (0.51) CPB1SMN1; SMN2TACR1TLR4ALDH1A1
SCHEMBL5029500 0.80 CPB1 (0.46) CPB1SMN1; SMN2TACR1ALDH1A1GAA
SCHEMBL5029501 0.80 CPB1 (0.46) CPB1SMN1; SMN2TACR1ALDH1A1GAA
SCHEMBL5029146 0.79 CPB1 (0.45) CPB1SMN1; SMN2TACR1ALDH1A1GAA
SCHEMBL5031822 0.79 PSMB5 (0.33) SMN1; SMN2LMNA
SCHEMBL17506913 0.77 ALDH1A1 (0.56) CPB1SMN1; SMN2TLR4ALDH1A1GAA
SCHEMBL5030265 0.76 CCR2 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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 (1 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 CPB1 764/4885SMN1; SMN2 2931/4885TACR1 107/4885

“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.