SCHEMBL5634871

SCHEMBL5634871

O=C(/C(F)=C/N1CCN2CCC1C2)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.37
HTR3A P46098 1/20 0.37
CYP2D6 P10635 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
CHRNA3 P32297 1/20 0.33
HSD11B1 P28845 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL4032208 0.92 CHRNA7 (0.42) CHRNA7HTR3AL3MBTL3L3MBTL1ACACB
SCHEMBL4027413 0.70 CHRNA7 (0.50) CHRNA7HTR3AL3MBTL3L3MBTL1KDM4E
SCHEMBL14381382 0.68 CHRNA7 (0.43) CHRNA7HTR3AKMT2ACHRNA3
SCHEMBL5634876 0.68 CHRNA7 (0.43) CHRNA7HTR3AKMT2ACHRNA3
SCHEMBL372771 0.67 CHRNA7 (0.43) CHRNA7HTR3AL3MBTL3L3MBTL1KMT2A
SCHEMBL5635879 0.64 GPR52 (0.39) CHRNA7KMT2A
SCHEMBL4030570 0.63 CHRNA7 (0.60) CHRNA7HTR3AL3MBTL3L3MBTL1CHRNA3
SCHEMBL5416390 0.63 FAAH (0.47) CHRNA7HTR3AL3MBTL3L3MBTL1
Benzoic Acid SCHEMBL19834629 0.62 CHRNA7 (0.57) CHRNA7CYP2D6BCHEACHE
Benzoic Acid SCHEMBL19834628 0.62 CHRNA7 (0.57) CHRNA7CYP2D6BCHEACHE

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-20070244097-A1 Nicotinic AcetylcholineReceptor Ligands ASTRAZENECA AB (SE) 2007-10-18 US claimed
US-20070244097-A1 Nicotinic AcetylcholineReceptor Ligands ASTRAZENECA AB (SE) 2007-10-18 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-20070244097-A1 Nicotinic AcetylcholineReceptor Ligands CHRNG, CHRNE, CHRNA1 CHRNA7 8/4885HTR3A 229/4885CYP2D6 606/4885

“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.