SCHEMBL3736840

SCHEMBL3736840

CCCC1CN(C(=O)OC(C)(C)C)CC[C@@H]1N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
NR1H2 P55055 1/20 0.40
DPP4 P27487 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL3736837 1.00 HPGD (0.43) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL25568092 0.90 HPGD (0.46) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL21748946 0.90 HPGD (0.46) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL12492477 0.90 HPGD (0.46) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL12493100 0.90 HPGD (0.46) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL3084302 0.86 HPGD (0.41) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL19331834 0.86 HPGD (0.41) HPGDMEN1ALDH1A1MAPTKMT2A
Acetic Acid SCHEMBL17687614 0.86 HPGD (0.43) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL3744110 0.86 NR1H2 (0.49) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL3744107 0.86 NR1H2 (0.49) HPGDMEN1ALDH1A1MAPTKMT2A

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
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
EP-1656345-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO 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 HPGD 748/4885MEN1 3015/4885ALDH1A1 1402/4885
US-20090124668-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 HPGD 748/4885MEN1 3015/4885ALDH1A1 1402/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 HPGD 748/4885MEN1 3015/4885ALDH1A1 1402/4885

“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.