SCHEMBL513571

SCHEMBL513571

COc1ccccc1C1CCc2c(O)nc(O)nc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.41
ADRA2A P08913 1/20 0.41
HTR2C P28335 2/20 0.38
CYP19A1 P11511 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
PIN1 Q13526 1/20 0.35
PKM P14618 1/20 0.35
POLL Q9UGP5 1/20 0.35
HSD11B1 P28845 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
SCHEMBL513169 0.81 KDM4E (0.36) HTR2CCYP19A1
SCHEMBL513459 0.76 ADRA1A (0.43) ADRA1AADRA2AHTR2CCYP19A1MEN1
SCHEMBL512147 0.74 DDB1 (0.47) ADRA1AHTR2CCYP19A1MEN1KMT2A
SCHEMBL512671 0.73 UGT1A1 (0.44) ADRA1AADRA2AHTR2CCYP19A1MEN1
SCHEMBL513118 0.67 GRM2 (0.33)
SCHEMBL513110 0.67 CYP11B2 (0.43)
SCHEMBL10725754 0.63 CYP19A1 (0.52) HTR2CCYP19A1MEN1KMT2APOLL
SCHEMBL7483960 0.62 HTT (0.48) ALDH1A1
SCHEMBL1515163 0.62 HTR2C (0.75) ADRA1AHTR2CMEN1KMT2ADRD2
SCHEMBL512007 0.62 CYP19A1 (0.48) HTR2CCYP19A1MEN1KMT2AALDH1A1

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 17 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
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 ADRA1A 645/4885ADRA2A 472/4885HTR2C 3919/4885
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP ADRA1A 645/4885ADRA2A 472/4885HTR2C 3919/4885

“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.