SCHEMBL6352848

SCHEMBL6352848

CC(C)(C)OC(=O)N1CCCN(c2cncc(-c3cccc([N+](=O)[O-])c3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
MET P08581 4/20 0.49
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNB3 Q05901 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
KIT P10721 1/20 0.42
PIK3CA P42336 1/20 0.42
GBA1 P04062 1/20 0.41
MAPK1 P28482 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL5237489 0.84 LMNA (0.67) ALDH1A1MAPTLMNAMETGPR119
SCHEMBL29660566 0.84 LMNA (0.67) ALDH1A1MAPTLMNAMETGPR119
SCHEMBL1686081 0.81 CKS1B (0.57) ALDH1A1MAPTLMNACKS1BSKP1
SCHEMBL20564686 0.81 MAPT (0.68) ALDH1A1MAPTLMNAMETCKS1B
SCHEMBL985189 0.80 LMNA (0.73) ALDH1A1MAPTLMNAMETGPR119
SCHEMBL30208112 0.80 LMNA (0.73) ALDH1A1MAPTLMNAMETGPR119
SCHEMBL3203878 0.78 MAPT (0.90) ALDH1A1MAPTLMNAGPR119
SCHEMBL5656725 0.76 CHRNB2 (0.53) ALDH1A1MAPTLMNACKS1BSKP1
SCHEMBL16933441 0.76 GPR119 (0.53) ALDH1A1MAPTLMNACKS1BSKP1
SCHEMBL5656417 0.76 MEN1 (0.54) ALDH1A1MAPTLMNACKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897219-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2005-05-24 US disclosed
US-6825189-B1 TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION NEUROSEARCH A/S (DK) 2004-11-30 US disclosed
EP-1027336-B1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH AS (DK) 2004-10-06 EP disclosed
US-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; NEUROSEARCH A/S 2004-04-15 US disclosed
EP-1027336-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2000-08-16 EP disclosed
WO-1999021834-A1 HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 1999-05-06 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 (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-20040072823-A1 Heteroaryl diazacycloalkanes, their preparation and use; OGFR, CBR3, OGFRL1 ALDH1A1 2299/4885MAPT 4539/4885LMNA 2394/4885

“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.