SCHEMBL5419946

SCHEMBL5419946

O=C(c1ccc(-c2ccccc2)s1)N1CCN2CCC1C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.56
HTR3A P46098 5/20 0.56
HTR3E A5X5Y0 4/20 0.56
HTR3B O95264 4/20 0.56
HTR3D Q70Z44 4/20 0.56
HTR3C Q8WXA8 4/20 0.56
RAB9A P51151 3/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
ACKR3 P25106 1/20 0.43
HDAC1 Q13547 1/20 0.43
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HPGDS O60760 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 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
SCHEMBL4700617 0.92 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5425952 0.87 MKNK1 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5420767 0.84 HRH3 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5420770 0.84 HRH3 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5420773 0.84 HRH3 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5424198 0.83 MAPK13 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5424195 0.83 MAPK13 (0.44) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4701573 0.80 HDAC3 (0.48) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL373015 0.80 MKNK1 (0.56) CHRNA7HDAC1HDAC6
SCHEMBL5416390 0.77 FAAH (0.47) CHRNA7HTR3A

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-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-10-25 US claimed
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-10-25 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-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNB1, CHRNA2 CHRNA7 9/4885HTR3A 161/4885HTR3E 343/4885

“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.