SCHEMBL5031899

SCHEMBL5031899

CC(C)(C)NC1CCC(NC(=O)CNc2ncnc3ccc(-c4ccccc4F)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 15/20 0.50
CYP1A2 P05177 5/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2D6 P10635 5/20 0.48
CYP2C19 P33261 5/20 0.48
USP2 O75604 4/20 0.48
TSHR P16473 4/20 0.48
CLK4 Q9HAZ1 4/20 0.48
LMNA P02545 2/20 0.48
CCR2 P41597 2/20 0.47
KCNH2 Q12809 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5027288 0.90 CYP1A2 (0.61) CCRL2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5029207 0.89 CYP1A2 (0.60) CCRL2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5027107 0.88 CCRL2 (0.51) CCRL2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5027259 0.88 CCRL2 (0.53) CCRL2
SCHEMBL5029495 0.87 CYP1A2 (0.60) CCRL2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5029067 0.87 CCRL2 (0.51) CCRL2CLK4
SCHEMBL5029621 0.85 CCRL2 (0.52) CCRL2CCR2KCNH2
SCHEMBL5033574 0.84 CCRL2 (0.62) CCRL2
SCHEMBL5033636 0.84 CCRL2 (0.55) CCRL2
SCHEMBL5029267 0.84 CCRL2 (0.59) CCRL2CCR2KCNH2

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 CCRL2 15/4885CYP1A2 2798/4885CYP3A4 3690/4885

“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.