SCHEMBL514191

SCHEMBL514191

CCOC(=O)C1CCC(c2ccc(C(F)(F)F)nc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
HDAC4 P56524 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
KCNH2 Q12809 1/20 0.35
LIPE Q05469 1/20 0.35
SSTR4 P31391 1/20 0.35
TLR4 O00206 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP3A5 P20815 1/20 0.35
DGAT1 O75907 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL15797826 0.76 HRH3 (0.52) HRH3HDAC4KCNQ3KCNQ2KCNQ4
SCHEMBL18828640 0.76 HRH3 (0.52) HRH3HDAC4KCNQ3KCNQ2KCNQ4
SCHEMBL15805085 0.76 HRH3 (0.52) HRH3HDAC4KCNQ3KCNQ2KCNQ4
SCHEMBL15797825 0.76 HRH3 (0.52) HRH3HDAC4KCNQ3KCNQ2KCNQ4
SCHEMBL15805108 0.76 HRH3 (0.52) HRH3HDAC4KCNQ3KCNQ2KCNQ4
SCHEMBL360491 0.75 TSHR (0.50) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL513358 0.73 HSD17B10 (0.50) TLR4KMT2AMEN1KDM4EALDH1A1
SCHEMBL15768751 0.72 HDAC4 (0.63) HDAC4KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL512754 0.70 ALDH1A1 (0.42) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL17478147 0.70 GPBAR1 (0.47) HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
US-8637525-B2 Compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-28 US disclosed
EP-2668168-A1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2013-12-04 EP disclosed
CN-103328451-A Compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2013-09-25 CN disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 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-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP HRH3 3373/4885HDAC4 3175/4885KCNQ3 4374/4885
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP HRH3 3373/4885HDAC4 3175/4885KCNQ3 4374/4885

“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.