SCHEMBL5029598

SCHEMBL5029598

CC(C)(C)NC1CCC(NC(=O)CNC(=O)c2cccc(-c3ccc(C(=O)O)cc3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
P2RY12 Q9H244 2/20 0.42
CCR2 P41597 4/20 0.39
LIPG Q9Y5X9 3/20 0.39
CNR2 P34972 2/20 0.39
USP30 Q70CQ3 2/20 0.39
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.38
PSMB5 P28074 2/20 0.38
SMYD3 Q9H7B4 1/20 0.38

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
SCHEMBL5033733 0.91 CNR2 (0.45) RAB9AP2RY12CCR2LIPGCNR2
SCHEMBL5029445 0.81 CTSA (0.45) RAB9ACCR2LIPGCNR2USP30
SCHEMBL5029439 0.81 CTSA (0.45) RAB9ACCR2LIPGCNR2USP30
SCHEMBL5033653 0.81 CCR2 (0.51) RAB9ACCR2NPC1SMYD3
SCHEMBL5033656 0.81 CCR2 (0.51) RAB9ACCR2NPC1SMYD3
SCHEMBL5030274 0.81 RAB9A (0.46) RAB9ACCR2NPC1SMYD3
SCHEMBL5030277 0.81 RAB9A (0.46) RAB9ACCR2NPC1SMYD3
SCHEMBL5027275 0.79 ALDH1A1 (0.56) RAB9ACCR2CNR2NPC1
SCHEMBL5027265 0.79 ALDH1A1 (0.56) RAB9ACCR2CNR2NPC1
SCHEMBL5031756 0.74 RAB9A (0.40) RAB9ACCR2NPC1SMYD3

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 RAB9A 2580/4885P2RY12 2345/4885CCR2 3/4885

“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.