SCHEMBL512977

SCHEMBL512977

CC1OCC(c2ccccc2)c2nc(N)nc(N)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.38
TAAR1 Q96RJ0 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HRH4 Q9H3N8 2/20 0.36
DHFR P00374 5/20 0.36
HRH2 P25021 1/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
DCPS Q96C86 1/20 0.33
TSHR P16473 1/20 0.33
PIK3CG P48736 1/20 0.32
NOS2 P35228 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
NUDT1 P36639 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL513286 0.81 HRH3 (0.41) NOS1HRH3HRH4DHFRHRH2
SCHEMBL512514 0.79 NOS1 (0.40) NOS1HRH3HRH4DHFRHRH2
SCHEMBL512760 0.75 NOS1 (0.36) NOS1HRH3DHFRHRH2DCPS
SCHEMBL9105146 0.74 NOS1 (0.38) NOS1HRH3HRH4DHFRHRH2
SCHEMBL512761 0.73 NOS1 (0.37) NOS1TAAR1HRH3HRH4DHFR
SCHEMBL513386 0.70 HRH4 (0.50) NOS1HRH3HRH4DHFRHRH2
SCHEMBL513416 0.69 NOS1 (0.38) NOS1HRH3DHFRHRH2DCPS
SCHEMBL513417 0.68 NOS1 (0.40) NOS1HRH3HRH4DHFRHRH2
SCHEMBL9107481 0.63
SCHEMBL8634425 0.63 NOS1 (0.38) NOS1HRH3DHFRHRH2TSHR

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 5 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

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 NOS1 1045/4885TAAR1 3445/4885HRH3 3373/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP NOS1 1045/4885TAAR1 3445/4885HRH3 3373/4885

“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.