SCHEMBL2843063

SCHEMBL2843063

CC(=O)N1CCCN(CCCCCC(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
HTR7 P34969 5/20 0.50
PAOX Q6QHF9 1/20 0.50
CHRNA7 P36544 1/20 0.43
KCNH2 Q12809 1/20 0.43
PIK3CD O00329 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HTR1A P08908 1/20 0.40
KDM1A O60341 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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 0.98 CYP1A2 (0.56) CYP1A2MAPK1SMN1; SMN2SIGMAR1HTR7
SCHEMBL4912945 0.92 HTR7 (0.54) CYP1A2MAPK1SMN1; SMN2SIGMAR1HTR7
SCHEMBL13660052 0.87 PAOX (0.62) CYP1A2SIGMAR1HTR7PAOXCHRNA7
SCHEMBL13660053 0.84 SIGMAR1 (0.50) CYP1A2MAPK1SMN1; SMN2SIGMAR1HTR7
SCHEMBL24694352 0.83 CYP1A2 (0.52) CYP1A2MAPK1SMN1; SMN2SIGMAR1HTR7
SCHEMBL9149589 0.81 CYP1A2 (0.80) CYP1A2MAPK1SMN1; SMN2HTR7PAOX
SCHEMBL9152244 0.81 CYP1A2 (0.80) CYP1A2MAPK1SMN1; SMN2HTR7PAOX
SCHEMBL11851576 0.81 CYP1A2 (0.80) CYP1A2MAPK1SMN1; SMN2HTR7PAOX
SCHEMBL9151071 0.81 CYP1A2 (0.80) CYP1A2MAPK1SMN1; SMN2HTR7PAOX
SCHEMBL9150946 0.81 CYP1A2 (0.80) CYP1A2MAPK1SMN1; SMN2HTR7PAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 CYP1A2 1261/4885MAPK1 1781/4885SMN1; SMN2 2002/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 CYP1A2 2584/4885MAPK1 1513/4885SMN1; SMN2 1693/4885

“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.