SCHEMBL513186

SCHEMBL513186

CC1(C)CC(c2ccc(OC(F)(F)F)cc2)c2nc(N)nc(N)c21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
DHFR P00374 6/20 0.38
CHRNA7 P36544 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
ADCYAP1R1 P41586 1/20 0.34
IDH1 O75874 1/20 0.34
CETP P11597 1/20 0.34
SLC6A4 P31645 1/20 0.33
ADORA2A P29274 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL513417 0.79 NOS1 (0.40) KDM1ADHFR
SCHEMBL513185 0.70 DHFR (0.39) KDM1ARCOR1DHFRCHRNA7ADORA2A
SCHEMBL28152179 0.62 DHFR (0.49) DHFRCHRNA7ADORA2A
SCHEMBL14894165 0.61 KDM1A (0.50) KDM1ARCOR1SLC6A4HCRTR1HCRTR2
Bicarbonate SCHEMBL10976674 0.61 KDM1A (0.54) KDM1ARCOR1SLC6A4
SCHEMBL14893852 0.60 KDM1A (0.49) KDM1ARCOR1SLC6A4
SCHEMBL27675967 0.60 CHRNA7 (0.62) DHFRCHRNA7ADORA2A
SCHEMBL512761 0.60 NOS1 (0.37) KDM1ADHFR
SCHEMBL15766945 0.60 KDM1A (0.97) KDM1ARCOR1
SCHEMBL15766948 0.60 KDM1A (0.97) KDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US claimed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO claimed
CN-102548557-B Compounds for reducing beta-amyloid production BRISTOL MYERS SQUIBB CO 2014-12-24 CN disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 WO 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-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP KDM1A 4747/4885RCOR1 3681/4885DHFR 2702/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP KDM1A 4747/4885RCOR1 3681/4885DHFR 2702/4885

“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.