SCHEMBL1751571

SCHEMBL1751571

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3ccccc23)C(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
BRD4 O60885 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
CREBBP Q92793 1/20 0.49
HSD11B1 P28845 2/20 0.48
TACR1 P25103 1/20 0.46
GPR119 Q8TDV5 1/20 0.44
USP30 Q70CQ3 2/20 0.43
PDE4B Q07343 1/20 0.43
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BTK Q06187 1/20 0.41
CCR2 P41597 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
SCHEMBL12647469 1.00 KDM4E (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL13594798 1.00 KDM4E (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3712908 0.88 KDM4E (0.51) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27745163 0.86 KDM4E (0.49) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3713969 0.84 KDM4E (0.47) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL14181451 0.84 KDM4E (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL3715219 0.82 KDM4E (0.46) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL8253087 0.82 TACR1 (0.48) KDM4ETACR1GPR119USP30PDE4B
SCHEMBL952059 0.82 GPR119 (0.50) KDM4ETACR1GPR119USP30PDE4B
SCHEMBL3806425 0.82 GPR119 (0.50) KDM4ETACR1GPR119USP30PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101460461-B Process for preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carboxylic acids HOFFMANN LA ROCHE 2012-10-03 CN claimed
US-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS BACHMANN STEPHAN 2011-05-05 US claimed
EP-2029541-B1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2009-12-30 EP claimed
CN-101460461-A Process for preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carboxylic acids HOFFMANN LA ROCHE (CH) 2009-06-17 CN claimed
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids HOFFMANN-LA ROCHE INC. 2007-10-04 US claimed
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-09-26 US disclosed
CN-101460461-B Process for preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carboxylic acids HOFFMANN LA ROCHE 2012-10-03 CN disclosed
US-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS BACHMANN STEPHAN 2011-05-05 US disclosed
EP-2029541-B1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2009-12-30 EP disclosed
CN-101460461-A Process for preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carboxylic acids HOFFMANN LA ROCHE (CH) 2009-06-17 CN disclosed
EP-2029541-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOXYLIC ACIDS F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
WO-2007113155-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC Β-ARYL OR HETEROARYL CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-11 WO disclosed
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids HOFFMANN-LA ROCHE INC. 2007-10-04 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-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS AHR, AR, CYP8B1 KDM4E 4079/4885BRD4 1807/4885ALDH1A1 812/4885
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS AHR, CYP8B1, ADRA2C KDM4E 4211/4885BRD4 2671/4885ALDH1A1 955/4885
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids AHR, CYP8B1, ADRA2C KDM4E 4211/4885BRD4 2671/4885ALDH1A1 955/4885

“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.