SCHEMBL5029501

SCHEMBL5029501

CC(C)(C)N(C(=O)O)C1CCC(NC(=O)OCc2ccccc2)C(COC(=O)Nc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.46
MAOB P27338 3/20 0.43
KDM1A O60341 3/20 0.43
MAOA P21397 2/20 0.43
RCOR1 Q9UKL0 2/20 0.42
TACR1 P25103 2/20 0.41
POLB P06746 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MGLL Q99685 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL5029500 1.00 CPB1 (0.46) CPB1MAOBKDM1AMAOARCOR1
SCHEMBL5030509 0.87 CPB1 (0.50) CPB1TACR1SMN1; SMN2TSHRALDH1A1
SCHEMBL5030515 0.87 CPB1 (0.50) CPB1TACR1SMN1; SMN2TSHRALDH1A1
SCHEMBL31650770 0.82 CPB1 (0.51) CPB1MAOBKDM1ATACR1SMN1; SMN2
SCHEMBL5030238 0.82 TSHR (0.44) MAOBKDM1AMAOARCOR1BCHE
SCHEMBL5030244 0.82 TSHR (0.44) MAOBKDM1AMAOARCOR1BCHE
SCHEMBL5029146 0.81 CPB1 (0.45) CPB1TACR1POLBSMN1; SMN2TSHR
SCHEMBL5029137 0.80 CPB1 (0.43) CPB1TACR1SMN1; SMN2TSHRALDH1A1
SCHEMBL5029129 0.80 CPB1 (0.43) CPB1TACR1SMN1; SMN2TSHRALDH1A1
SCHEMBL17506913 0.79 ALDH1A1 (0.56) CPB1ACHESMN1; SMN2TSHRALDH1A1

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 764/4885MAOB 3546/4885KDM1A 3865/4885

“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.