SCHEMBL2992306

SCHEMBL2992306

C[C@@H](CCS(=O)(=O)c1ccc(Br)cc1)N(C)C1CCC(N)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.38
CTDSP1 Q9GZU7 2/20 0.38
PLCG1 P19174 1/20 0.36
KMT2A Q03164 7/20 0.35
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
TSHR P16473 1/20 0.33
CCR2 P41597 1/20 0.33
HTR7 P34969 1/20 0.32
MEN1 O00255 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RECQL P46063 2/20 0.32
EIF4H Q15056 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRK2 P25098 1/20 0.32
KDM4E B2RXH2 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL16456530 1.00 POLB (0.38) POLBCTDSP1PLCG1KMT2AMMP1
SCHEMBL2991411 0.88 KMT2A (0.37) POLBKMT2AMMP1MMP13CCR2
SCHEMBL5753723 0.88 KMT2A (0.37) POLBKMT2AMMP1MMP13CCR2
SCHEMBL2996925 0.87 HTR2A (0.40) KMT2AMMP1MMP13CCR2MEN1
SCHEMBL16456499 0.87 HTR2A (0.40) KMT2AMMP1MMP13CCR2MEN1
SCHEMBL16456529 0.71 CCR2 (0.49) CCR2
SCHEMBL2992305 0.71 CCR2 (0.49) CCR2
SCHEMBL10258225 0.70 PLCG1 (0.55) POLBCTDSP1PLCG1KMT2AMMP1
SCHEMBL13917416 0.65 PLCG1 (0.52) POLBCTDSP1PLCG1KMT2AMMP1
SCHEMBL3051970 0.64 PLCG1 (0.55) POLBCTDSP1PLCG1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 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 (2 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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 POLB 1862/4885CTDSP1 2599/4885PLCG1 2327/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 POLB 1837/4885CTDSP1 2675/4885PLCG1 2536/4885

“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.