SCHEMBL5033656

SCHEMBL5033656

CC(C)(C)N[C@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(C)(C)C)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.51
CCR5 P51681 2/20 0.51
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.42
KMT2A Q03164 3/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MEN1 O00255 1/20 0.37
P2RX7 Q99572 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL5033653 1.00 CCR2 (0.51) CCR2CCR5RAB9ANPC1KMT2A
SCHEMBL5030274 0.87 RAB9A (0.46) CCR2CCR5RAB9ANPC1KMT2A
SCHEMBL5030277 0.87 RAB9A (0.46) CCR2CCR5RAB9ANPC1KMT2A
SCHEMBL5031756 0.81 RAB9A (0.40) CCR2CCR5RAB9ANPC1KMT2A
SCHEMBL5029598 0.81 RAB9A (0.43) CCR2RAB9ANPC1SMYD3
SCHEMBL5033733 0.80 CNR2 (0.45) CCR2RAB9A
SCHEMBL5027265 0.79 ALDH1A1 (0.56) CCR2RAB9ANPC1KMT2AMEN1
SCHEMBL5027275 0.79 ALDH1A1 (0.56) CCR2RAB9ANPC1KMT2AMEN1
SCHEMBL5031861 0.79 CCR2 (0.63) CCR2RAB9A
SCHEMBL5029445 0.78 CTSA (0.45) CCR2RAB9A

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 3/4885CCR5 11/4885RAB9A 2580/4885

“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.