SCHEMBL5033700

SCHEMBL5033700

COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NN(CC=O)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.44
CYP2D6 P10635 4/20 0.39
KCNH2 Q12809 3/20 0.39
CPB1 P15086 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TMEM97 Q5BJF2 1/20 0.34
ABCB1 P08183 2/20 0.34
CCR5 P51681 2/20 0.34
REN P00797 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
SCHEMBL5029289 0.86 SIGMAR1 (0.38) CCR2CYP2D6KCNH2CPB1SIGMAR1
SCHEMBL5030356 0.81 CCR2 (0.43) CCR2CYP2D6KCNH2CCR5
SCHEMBL5033692 0.80 CCR2 (0.61) CCR2CYP2D6KCNH2CPB1CCR5
SCHEMBL5033696 0.80 CCR2 (0.61) CCR2CYP2D6KCNH2CPB1CCR5
SCHEMBL5029168 0.72 CPB1 (0.36) CPB1SIGMAR1
SCHEMBL5027345 0.71 CCR2 (0.53) CCR2CYP2D6KCNH2CCR5
SCHEMBL5027332 0.71 CCR2 (0.53) CCR2CYP2D6KCNH2CCR5
SCHEMBL5027340 0.71 CCR2 (0.53) CCR2CYP2D6KCNH2CCR5
SCHEMBL5027115 0.70 CCR2 (0.43) CCR2CYP2D6KCNH2CCR5REN
SCHEMBL5027117 0.70 CCR2 (0.43) CCR2CYP2D6KCNH2CCR5REN

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 3/4885CYP2D6 3033/4885KCNH2 1662/4885

“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.