SCHEMBL5029151

SCHEMBL5029151

CC(C)S(=O)(=O)C[C@@H]1CC(NC(=O)O)CC[C@@H]1NC(=O)OC(c1ccccc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.36
KDM1A O60341 2/20 0.35
MAOB P27338 1/20 0.35
DRD2 P14416 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
EPHX1 P07099 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL5031898 0.87 KDM1A (0.38) CCR2KDM1AMAOBDRD2CYP3A4
SCHEMBL3801515 0.76 ALDH1A1 (0.46) CCR2KDM1AMAOBKCNH2EPHX1
SCHEMBL5029532 0.75 CCR2 (0.34) CCR2KCNH2
SCHEMBL5029174 0.73 CCR2 (0.34) CCR2KCNH2
SCHEMBL5029171 0.73 CCR2 (0.34) CCR2KCNH2
SCHEMBL5228128 0.73 CCR2 (0.34) CCR2KCNH2
SCHEMBL3731312 0.71 CPB1 (0.50) KDM1AMAOBKCNH2EPHX1
SCHEMBL5769696 0.71 CPB1 (0.50) KDM1AMAOBKCNH2EPHX1
SCHEMBL3731309 0.71 CPB1 (0.50) KDM1AMAOBKCNH2EPHX1
SCHEMBL5767379 0.70 SMYD3 (0.40) CCR2CCR5

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 CCR2 3/4885KDM1A 3865/4885MAOB 3546/4885

“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.