SCHEMBL3733095

SCHEMBL3733095

COCC1CC(NC(=O)OC(C)(C)C)CCC1N

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.51
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
CTSK P43235 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 3/20 0.38
EPHX1 P07099 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.36
GAA P10253 2/20 0.35
EPHX2 P34913 1/20 0.34
JAK1 P23458 2/20 0.34

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
SCHEMBL3733091 1.00 BTK (0.51) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL19735213 0.86 BTK (0.54) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL3739366 0.84 BTK (0.51) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL3739371 0.84 BTK (0.51) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL5798090 0.84 BTK (0.51) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL5027227 0.82 BTK (0.49) BTKKDM1AMAOBCTSKKMT2A
SCHEMBL5031890 0.81 NPSR1 (0.33) BTK
SCHEMBL5229366 0.81 NPSR1 (0.33) BTK
SCHEMBL5031894 0.81 NPSR1 (0.33) BTK
SCHEMBL5029127 0.81 BTK (0.48) BTKKDM1AMAOBCTSKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 EP disclosed
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-7482335-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CARTER PEROY H 2007-02-08 US disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 US disclosed
US-20050054627-A1 Cyclic 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 (3 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-20070032526-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 BTK 3162/4885KDM1A 4380/4885MAOB 3084/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 BTK 3162/4885KDM1A 4380/4885MAOB 3084/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 BTK 3162/4885KDM1A 4380/4885MAOB 3084/4885

“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.