SCHEMBL3612795

SCHEMBL3612795

O=C(Nc1ccc(-c2ccc(C(=O)N3CCN4CCC3CC4)o2)cc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
THRA P10827 1/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
RAD52 P43351 1/20 0.49
RAC1 P63000 1/20 0.48
POLB P06746 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
PDE4B Q07343 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
HTT P42858 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
Hydrochloric Acid SCHEMBL3619929 0.99 MEN1 (0.50) MEN1KMT2ATHRAALDH1A1MAPT
SCHEMBL3614242 0.90 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTPOLB
Hydrochloric Acid SCHEMBL3616499 0.89 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL3614764 0.86 PTPN1 (0.43) MEN1KMT2AALDH1A1MAPTPDE4B
SCHEMBL3326905 0.86 PTPN1 (0.55) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL3327901 0.85 PDE4B (0.60) MEN1KMT2AALDH1A1MAPTOPRM1
Hydrochloric Acid SCHEMBL3322746 0.84 PDE4B (0.59) MEN1KMT2AALDH1A1MAPTOPRM1
SCHEMBL3619740 0.83 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTPOLB
Hydrochloric Acid SCHEMBL3617777 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL3326650 0.82 ALDH1A1 (0.61) MEN1KMT2AALDH1A1MAPTPOLB

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
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
EP-1713810-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2006-10-25 EP disclosed
WO-2005075482-A1 DIAZABICYCLIC ARYL DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS NEUROSEARCH A/S (DK) 2005-08-18 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 (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 MEN1 3778/4885KMT2A 1673/4885THRA 696/4885
US-20080227772-A1 Diazabicyclic Aryl Derivatives as Nicotinic Acetylcholine Receptor Ligands CHRNA6, CHRNA10, CHRNA2 MEN1 3778/4885KMT2A 1673/4885THRA 696/4885

“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.