SCHEMBL3614764

SCHEMBL3614764

Nc1cccc(C(=O)Nc2ccc(-c3ccc(C(=O)N4CCN5CCC4CC5)o3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
CHRNA7 P36544 2/20 0.42
PTPN11 Q06124 1/20 0.42
PTGS1 P23219 1/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
CNR1 P21554 1/20 0.38
MMP13 P45452 1/20 0.38
PLAU P00749 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PRKD3 O94806 1/20 0.37
PRKD1 Q15139 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
MAPKAPK2 P49137 2/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL3612891 0.89 PTPN1 (0.51) PTPN1CHRNA7PTPN11MEN1KMT2A
SCHEMBL3326905 0.89 PTPN1 (0.55) PTPN1CHRNA7PTPN11MEN1ALDH1A1
SCHEMBL3612795 0.86 MEN1 (0.51) MEN1ALDH1A1HPGDKMT2APDE4B
Hydrochloric Acid SCHEMBL3619929 0.85 MEN1 (0.50) MEN1ALDH1A1HPGDKMT2APDE4B
SCHEMBL3326108 0.83 CHRNA7 (0.51) CHRNA7ALDH1A1PDE4BMAPT
SCHEMBL3619074 0.83 PTPN1 (0.48) PTPN1CHRNA7PTPN11MEN1KMT2A
SCHEMBL3613691 0.82 MEN1 (0.50) PTPN1CHRNA7PTPN11MEN1ALDH1A1
SCHEMBL3326252 0.81 CHRNA7 (0.52) CHRNA7SMN1; SMN2PDE4BPDE4DMAPT
SCHEMBL3390148 0.81 CHRNA7 (0.48) PTPN1CHRNA7PTPN11MEN1KMT2A
SCHEMBL3331566 0.80 MMP13 (0.48) PTPN1CHRNA7MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands NEUROSEARCH A/S 2008-09-18 US claimed
US-20100130482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS PETERS DAN 2010-05-27 US disclosed
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands NEUROSEARCH A/S 2008-09-18 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 (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-20100130482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA6, CHRNA10, CHRNA2 PTPN1 1479/4885CHRNA7 5/4885PTPN11 1384/4885
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands CHRNA6, CHRNA10, CHRNA2 PTPN1 1479/4885CHRNA7 5/4885PTPN11 1384/4885

“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.