SCHEMBL513286

SCHEMBL513286

CC1CCC(c2ccccc2)c2nc(N)nc(N)c21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
HRH2 P25021 1/20 0.41
HRH4 Q9H3N8 2/20 0.39
NOS1 P29475 2/20 0.39
DHFR P00374 6/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
DCPS Q96C86 1/20 0.34
PIK3CG P48736 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
SCHEMBL512514 0.87 NOS1 (0.40) HRH3HRH2HRH4NOS1DHFR
SCHEMBL9105146 0.81 NOS1 (0.38) HRH3HRH2HRH4NOS1DHFR
SCHEMBL512977 0.81 NOS1 (0.38) HRH3HRH2HRH4NOS1DHFR
SCHEMBL513386 0.74 HRH4 (0.50) HRH3HRH2HRH4NOS1DHFR
SCHEMBL512760 0.71 NOS1 (0.36) HRH3HRH2NOS1DHFRDCPS
SCHEMBL513416 0.70 NOS1 (0.38) HRH3HRH2NOS1DHFRDCPS
SCHEMBL513417 0.69 NOS1 (0.40) HRH3HRH2HRH4NOS1DHFR
SCHEMBL8634425 0.67 NOS1 (0.38) HRH3HRH2NOS1DHFR
SCHEMBL8636193 0.67 NOS1 (0.38) HRH3HRH2NOS1DHFR
SCHEMBL8634423 0.67 NOS1 (0.38) HRH3HRH2NOS1DHFR

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
EP-2459197-A1 COMPOUNDS FOR THE REDUCTION OF -AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2012-06-06 EP claimed
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
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 HRH3 3373/4885HRH2 3316/4885HRH4 3240/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP HRH3 3373/4885HRH2 3316/4885HRH4 3240/4885

“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.