SCHEMBL6352963

SCHEMBL6352963

CC(C)(C)OC(=O)N1CCCN(c2cnc3ccccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.58
SKP1 P63208 2/20 0.58
SKP2 Q13309 2/20 0.58
AKR1C3 P42330 1/20 0.56
HTR3A P46098 1/20 0.54
MET P08581 4/20 0.54
PDE10A Q9Y233 1/20 0.53
ATR Q13535 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
PDK2 Q15119 1/20 0.48
DHFR P00374 1/20 0.47
CCKAR P32238 1/20 0.47
PIK3CA P42336 1/20 0.47
GBA1 P04062 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
BACE1 P56817 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
SCHEMBL31254494 1.00 CKS1B (0.58) CKS1BSKP1SKP2AKR1C3HTR3A
SCHEMBL31254486 0.96 AKR1C3 (0.61) CKS1BSKP1SKP2AKR1C3HTR3A
SCHEMBL4054998 0.96 AKR1C3 (0.61) CKS1BSKP1SKP2AKR1C3HTR3A
SCHEMBL27977377 0.82 MET (0.54) CKS1BSKP1SKP2AKR1C3MET
SCHEMBL652571 0.81 PDE10A (0.54) CKS1BSKP1SKP2AKR1C3HTR3A
SCHEMBL652572 0.81 PDE10A (0.54) CKS1BSKP1SKP2AKR1C3HTR3A
SCHEMBL2419663 0.81 POLB (0.52) CKS1BSKP1SKP2PDK2CCKAR
SCHEMBL14793126 0.81 MET (0.51) CKS1BSKP1SKP2METPDE10A
SCHEMBL31254495 0.80 CKS1B (0.66) CKS1BSKP1SKP2HTR3APDE10A
SCHEMBL5235594 0.80 GPR119 (0.69) CKS1BSKP1SKP2AKR1C3PDK2

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 CKS1B 2253/4885SKP1 1425/4885SKP2 3084/4885

“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.