SCHEMBL3736738

SCHEMBL3736738

CC(C)(C)OC(=O)NC1CCC(N2CC[C@H](NC(=O)OCc3ccccc3)C2=O)C(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PREP P48147 2/20 0.43
TSHR P16473 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
TLR4 O00206 1/20 0.42
DRD2 P14416 2/20 0.41
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
KCNH2 Q12809 1/20 0.41
CASP3 P42574 1/20 0.41
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL1843571 1.00 ALDH1A1 (0.47) ALDH1A1GAAKMT2AL3MBTL1PREP
SCHEMBL1843570 1.00 ALDH1A1 (0.47) ALDH1A1GAAKMT2AL3MBTL1PREP
SCHEMBL3736739 1.00 ALDH1A1 (0.47) ALDH1A1GAAKMT2AL3MBTL1PREP
SCHEMBL3732888 0.93 CPB1 (0.47) ALDH1A1GAAKMT2AL3MBTL1PREP
SCHEMBL1840896 0.93 TSHR (0.48) ALDH1A1GAAKMT2AL3MBTL1PREP
SCHEMBL3744222 0.93 CPB1 (0.47) ALDH1A1GAAKMT2AL3MBTL1PREP
SCHEMBL27667819 0.93 CPB1 (0.47) ALDH1A1GAAKMT2AL3MBTL1PREP
SCHEMBL1840892 0.93 TSHR (0.48) ALDH1A1GAAKMT2AL3MBTL1PREP
SCHEMBL3744220 0.93 CPB1 (0.47) ALDH1A1GAAKMT2AL3MBTL1PREP
SCHEMBL3732889 0.93 CPB1 (0.47) ALDH1A1GAAKMT2AL3MBTL1PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319661-B1 PROCESS FOR PRODUCING A TRICYCLIC FUSED HETEROCYCLIC DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2006-03-01 EP claimed
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 ALDH1A1 1402/4885GAA 4545/4885KMT2A 4491/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 ALDH1A1 1402/4885GAA 4545/4885KMT2A 4491/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ALDH1A1 1402/4885GAA 4545/4885KMT2A 4491/4885

“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.