SCHEMBL5029253

SCHEMBL5029253

CCN(C(C)C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](C(=O)N2CCCC2)C1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.59
CYP2D6 P10635 6/20 0.59
KCNH2 Q12809 5/20 0.59
CCR5 P51681 1/20 0.57

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
SCHEMBL5029260 1.00 CCR2 (0.59) CCR2CYP2D6KCNH2CCR5
SCHEMBL5031964 0.99 CCR2 (0.58) CCR2CYP2D6KCNH2CCR5
SCHEMBL5031965 0.99 CCR2 (0.58) CCR2CYP2D6KCNH2CCR5
SCHEMBL5033625 0.98 CCR2 (0.59) CCR2CYP2D6KCNH2CCR5
SCHEMBL5033632 0.98 CCR2 (0.59) CCR2CYP2D6KCNH2CCR5
SCHEMBL5029527 0.91 CCR2 (0.69) CCR2CYP2D6KCNH2CCR5
SCHEMBL5029533 0.91 CCR2 (0.69) CCR2CYP2D6KCNH2CCR5
SCHEMBL5031994 0.88 CCR2 (0.60) CCR2CYP2D6KCNH2CCR5
SCHEMBL5031997 0.88 CCR2 (0.60) CCR2CYP2D6KCNH2CCR5
SCHEMBL5030548 0.87 CCR2 (0.64) CCR2CYP2D6KCNH2CCR5

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.