SCHEMBL13043828

SCHEMBL13043828

CC(N[C@H]1CCCC[C@H]1C)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
EPHX1 P07099 2/20 0.44
LMNA P02545 2/20 0.44
RECQL P46063 1/20 0.44
KDM1A O60341 1/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
SMPD1 P17405 1/20 0.40

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
SCHEMBL12846812 1.00 GAA (0.64) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL13039962 1.00 GAA (0.64) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL2377101 1.00 GAA (0.64) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL2375504 1.00 GAA (0.64) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL13939546 1.00 GAA (0.64) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL9898209 1.00 GAA (0.64) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL13043827 1.00 GAA (0.64) GAAL3MBTL1MEN1KMT2APOLB
SCHEMBL9896981 1.00 GAA (0.64) GAAL3MBTL1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL9897986 0.98 GAA (0.62) GAAL3MBTL1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL9898478 0.98 GAA (0.62) GAAL3MBTL1MEN1KMT2APOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-05-14 US disclosed
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 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-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 GAA 4545/4885L3MBTL1 4803/4885MEN1 3015/4885

“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.