SCHEMBL4912945

SCHEMBL4912945

CC(=O)N1CCN(CCCCC(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.54
CYP1A2 P05177 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PAOX Q6QHF9 1/20 0.53
PIK3CD O00329 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
HTR1A P08908 1/20 0.45
KDM1A O60341 2/20 0.44
DRD3 P35462 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2845082 0.93 CYP1A2 (0.56) HTR7CYP1A2MAPK1SMN1; SMN2PAOX
SCHEMBL2843063 0.92 CYP1A2 (0.54) HTR7CYP1A2MAPK1SMN1; SMN2PAOX
SCHEMBL659239 0.86 CYP1A2 (0.52) HTR7CYP1A2MAPK1SMN1; SMN2PAOX
SCHEMBL26180910 0.86 CYP1A2 (0.68) HTR7CYP1A2MAPK1SMN1; SMN2PAOX
SCHEMBL8380184 0.86 CYP1A2 (0.68) HTR7CYP1A2MAPK1SMN1; SMN2PAOX
SCHEMBL8381328 0.84 CYP1A2 (0.65) CYP1A2MAPK1SMN1; SMN2PAOXTDP1
SCHEMBL4910508 0.82 PAOX (0.69) HTR7CYP1A2MAPK1SMN1; SMN2PAOX
SCHEMBL24694352 0.82 CYP1A2 (0.52) HTR7CYP1A2MAPK1SMN1; SMN2PAOX
Sebacic Acid SCHEMBL4458306 0.82 CYP1A2 (0.63) CYP1A2MAPK1SMN1; SMN2PAOXTDP1
SCHEMBL4914342 0.81 GNAI3 (0.50) HTR7CYP1A2PAOXPIK3CDTDP1

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
CN-104098526-A Amidophenyl-1,3,4-oxadiazole compound and its preparation method and use UNIV EAST CHINA NORMAL 2014-10-15 CN disclosed
US-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof SIENA BIOTECH S.P.A. (IT) 2008-11-06 US disclosed
CN-101018774-A Modulators of alpha7 nicotinic acetylcholine receptors and therapeutic uses thereof SIENA BIOTECH SPA (IT) 2007-08-15 CN disclosed
EP-1778658-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2007-05-02 EP disclosed
WO-2006008133-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2006-01-26 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-20080275028-A1 Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof CHRNA7, CHRNA5, CHRNA1 HTR7 24/4885CYP1A2 1878/4885MAPK1 1753/4885

“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.