SCHEMBL4550893

SCHEMBL4550893

COc1nc(N2C[C@@H](C)O[C@@H](C)C2)ncc1Br

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
MTOR P42345 1/20 0.38
AOC3 Q16853 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LRRK2 Q5S007 1/20 0.37
GAK O14976 2/20 0.36
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2731117 1.00 PIK3CA (0.38) PIK3CAMTORAOC3HDAC6TSHR
SCHEMBL15148382 0.82 LRRK2 (0.33) TSHRLRRK2
SCHEMBL15141793 0.82 PDCD1 (0.43) LRRK2
SCHEMBL15509011 0.76 AOC3 (0.41) AOC3
SCHEMBL15515685 0.76 AOC3 (0.41) AOC3
SCHEMBL10320019 0.76 HDAC6 (0.45) PIK3CAMTORAOC3HDAC6RAB9A
SCHEMBL3619265 0.76 HDAC6 (0.45) PIK3CAMTORAOC3HDAC6RAB9A
SCHEMBL15142569 0.73 PDCD1 (0.38) LRRK2
SCHEMBL23405620 0.73 KMT2A (0.41) PIK3CAMTORTSHRNPSR1LRRK2
SCHEMBL21462431 0.73 KMT2A (0.41) PIK3CAMTORTSHRNPSR1LRRK2

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-9133178-B2 Alpha-7 nicotinic receptor modulators for the treatment of pain, a psychotic disorder, cognitive impairment or alzheimer'S disease PROXIMAGEN LIMITED (GB) 2015-09-15 US disclosed
US-9133178-B2 Alpha-7 nicotinic receptor modulators for the treatment of pain, a psychotic disorder, cognitive impairment or alzheimer'S disease PROXIMAGEN LIMITED (GB) 2015-09-15 US disclosed
US-9133178-B2 Alpha-7 nicotinic receptor modulators for the treatment of pain, a psychotic disorder, cognitive impairment or alzheimer'S disease PROXIMAGEN LIMITED (GB) 2015-09-15 US disclosed
US-20130310380-A1 ALPHA-7 NICOTINIC RECEPTOR MODULATORS FOR THE TREATMENT OF PAIN, A PSYCHOTIC DISORDER, COGNITIVE IMPAIRMENT OR ALZHEIMER'S DISEASE PROXIMAGEN LIMITED (GB) 2013-11-21 US disclosed
US-20130310380-A1 ALPHA-7 NICOTINIC RECEPTOR MODULATORS FOR THE TREATMENT OF PAIN, A PSYCHOTIC DISORDER, COGNITIVE IMPAIRMENT OR ALZHEIMER'S DISEASE PROXIMAGEN LIMITED (GB) 2013-11-21 US disclosed
WO-2012055942-A1 ALPHA-7 NICOTINIC RECEPTOR MODULATORS FOR THE TREATMENT OF PAIN, A PSYCHOTIC DISORDER, COGNITIVE IMPAIRMENT OR ALZHEIMER'S DISEASE PROXIMAGEN LIMITED (GB) 2012-05-03 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 (1 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-20130310380-A1 ALPHA-7 NICOTINIC RECEPTOR MODULATORS FOR THE TREATMENT OF PAIN, A PSYCHOTIC DISORDER, COGNITIVE IMPAIRMENT OR ALZHEIMER'S DISEASE CHRNA7, CHRNA10, CHRNA5 PIK3CA 2267/4885MTOR 4582/4885AOC3 2793/4885

“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.