SCHEMBL2722151

SCHEMBL2722151

CC(C)(O)C(C)(C)OB(O)c1cc(F)ccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.35
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL539849 0.89 AR (0.35) ARNR3C1PGRNR3C2CYP1A2
SCHEMBL830482 0.80
SCHEMBL840344 0.80 TSHR (0.35) AR
SCHEMBL1806496 0.78 CES2 (0.31)
SCHEMBL16052048 0.77 FFAR4 (0.38) ARCYP1A2CYP2C9CYP2C19FFAR1
SCHEMBL29956185 0.77 FFAR4 (0.38) ARCYP1A2CYP2C9CYP2C19FFAR1
SCHEMBL6312251 0.77
SCHEMBL433113 0.75 PLA2G7 (0.34) ARNR3C1PGR
SCHEMBL16720954 0.75 NR3C1 (0.35) ARNR3C1PGRNR3C2
SCHEMBL829740 0.75

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-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
EP-2632918-A1 ALPHA-7 NICOTINIC RECEPTOR MODULATORS FOR THE TREATMENT OF PAIN, A PSYCHOTIC DISORDER, COGNITIVE IMPAIRMENT OR ALZHEIMER'S DISEASE Proximagen Limited (GB) 2013-09-04 EP 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 AR 1758/4885NR3C1 884/4885PGR 1409/4885

“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.