SCHEMBL5031869

SCHEMBL5031869

CC[C@@H]1C[C@H](NC(C)C)CC[C@@H]1NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.46
EPHX2 P34913 1/20 0.43
CCR3 P51677 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37
CCR5 P51681 1/20 0.36
S1PR2 O95136 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GCGR P47871 1/20 0.35
GIPR P48546 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 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
SCHEMBL5031874 1.00 CCR2 (0.46) CCR2EPHX2CCR3TMPRSS4CCR5
SCHEMBL5029656 0.79 CCR2 (0.57) CCR2EPHX2CCR5CYP2D6KCNH2
SCHEMBL5029650 0.79 CCR2 (0.57) CCR2EPHX2CCR5CYP2D6KCNH2
SCHEMBL5031879 0.79 CCR2 (0.57) CCR2EPHX2CCR5CYP2D6KCNH2
SCHEMBL5031877 0.79 CCR2 (0.57) CCR2EPHX2CCR5CYP2D6KCNH2
SCHEMBL5029307 0.77 CCR2 (0.52) CCR2EPHX2TMPRSS4POLBKMT2A
SCHEMBL5029300 0.77 CCR2 (0.52) CCR2EPHX2TMPRSS4POLBKMT2A
SCHEMBL3425203 0.77 CCR2 (0.63) CCR2CYP2D6KCNH2
SCHEMBL3425201 0.77 CCR2 (0.63) CCR2CYP2D6KCNH2
SCHEMBL5142357 0.75 POLB (0.57) CCR2EPHX2TMPRSS4POLBKMT2A

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 3/4885EPHX2 2676/4885CCR3 8/4885

“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.