SCHEMBL2069052

SCHEMBL2069052

CC(C)(C)OC(=O)N1CCCCC(CN2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.48
ACKR3 P25106 1/20 0.48
BRD4 O60885 2/20 0.47
KDM1A O60341 1/20 0.46
BACE1 P56817 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CTSD P07339 1/20 0.46
HTR6 P50406 3/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
NAMPT P43490 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
USP30 Q70CQ3 1/20 0.42
BCHE P06276 1/20 0.42
KAT7 O95251 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42

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
SCHEMBL21605864 0.97 ACKR3 (0.51) FEN1ACKR3BRD4KDM1ABACE1
SCHEMBL23871348 0.97 ACKR3 (0.51) FEN1ACKR3BRD4KDM1ABACE1
SCHEMBL29244762 0.97 ACKR3 (0.51) FEN1ACKR3BRD4KDM1ABACE1
SCHEMBL12635860 0.85 KDM4E (0.56) BRD4BACE1KDM4EPKMGPR119
SCHEMBL3958528 0.84 BACE1 (0.48) FEN1ACKR3BRD4KDM1ABACE1
SCHEMBL31157785 0.82 BRD4 (0.48) BRD4HSD17B10KDM4EPKMUSP30
SCHEMBL7389897 0.82 BRD4 (0.48) BRD4HSD17B10KDM4EPKMUSP30
SCHEMBL7389891 0.82 BRD4 (0.48) BRD4HSD17B10KDM4EPKMUSP30
SCHEMBL25579580 0.82 BRD4 (0.48) BRD4HSD17B10KDM4EPKMUSP30
SCHEMBL9668952 0.81 ACKR3 (0.49) FEN1ACKR3BRD4KDM1ABACE1

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
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 EP 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 (1 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-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative PPARA, PPARG, PPARD FEN1 3949/4885ACKR3 850/4885BRD4 262/4885

“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.