SCHEMBL2330398

SCHEMBL2330398

COc1cccc(N2CC3CNCC(C2)O3)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
OGA O60502 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
HTR2A P28223 3/20 0.37
HTR1A P08908 2/20 0.37
DRD3 P35462 2/20 0.37
ACACB O00763 1/20 0.37
IGF1R P08069 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
LCAT P04180 1/20 0.35
CHRM4 P08173 1/20 0.35
KDM1A O60341 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
SCHEMBL2327416 0.84 ALOX5 (0.44) ALOX5HCRTR1HCRTR2OGAHRH3
SCHEMBL6798249 0.77 ALOX5 (0.57) ALOX5HCRTR1HCRTR2OGAHRH3
SCHEMBL29904753 0.74 ALOX5 (0.50) ALOX5HCRTR1HCRTR2OGAHRH3
SCHEMBL20343479 0.74 HCRTR1 (0.47) ALOX5HCRTR1HCRTR2OGAHRH3
SCHEMBL2412819 0.73 HTR3E (0.58) ALOX5OGAHRH3HTR1ADRD3
SCHEMBL7392423 0.72 ALOX5 (0.46) ALOX5HCRTR1HCRTR2OGAHRH3
SCHEMBL2329659 0.72 CHRNB2 (0.56) OGAIGF1RKCNH2KDM1A
Hydrochloric Acid SCHEMBL3849292 0.72 HTR3E (0.57) ALOX5OGAHRH3HTR1ADRD3
SCHEMBL2329571 0.72 PLD1 (0.51)
SCHEMBL2330991 0.71 ADRB1 (0.55) KCNH2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257168-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2011-10-20 US claimed
EP-2356125-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Targacept, Inc. (US) 2011-08-17 EP claimed
WO-2010002971-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-01-07 WO claimed
US-20110257168-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2011-10-20 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 (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-20110257168-A1 DERIVATIVES OF OXABISPIDINE AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA5, CHRNA2, CHRNB2 ALOX5 1939/4885HCRTR1 79/4885HCRTR2 71/4885

“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.