SCHEMBL5027249

SCHEMBL5027249

CC(C)N(C)C[C@H]1CC[C@H](N)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.34
SMYD3 Q9H7B4 1/20 0.32
ALOX5 P09917 1/20 0.30

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
SCHEMBL5027246 1.00 BRD4 (0.34) BRD4SMYD3ALOX5
SCHEMBL21127225 0.89 ALOX5 (0.31) ALOX5
SCHEMBL12744944 0.89
SCHEMBL14768449 0.80 OPRK1 (0.31)
SCHEMBL25124418 0.79 ADRA1B (0.36) ALOX5
SCHEMBL10093897 0.79 ALOX5 (0.35) ALOX5
SCHEMBL24816719 0.78
SCHEMBL13624146 0.77 ADRA1B (0.39) ALOX5
SCHEMBL12714638 0.77 BRD4 (0.37) BRD4ALOX5
SCHEMBL530402 0.77 BRD4 (0.37) BRD4ALOX5

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 BRD4 2594/4885SMYD3 3068/4885ALOX5 844/4885

“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.