SCHEMBL5833087

SCHEMBL5833087

CN1C2CCC1CN(c1ccc(NC(=O)Cc3ccccc3)nc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 3/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MCL1 Q07820 1/20 0.49
HSD17B10 Q99714 1/20 0.48
WNT3A P56704 5/20 0.47
GLS O94925 2/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MCHR1 Q99705 1/20 0.45

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
SCHEMBL5832822 0.96 CDK5 (0.52) DEGS1NPC1RAB9AMCL1HSD17B10
SCHEMBL5833055 0.91 WNT3A (0.48) DEGS1WNT3A
SCHEMBL5832661 0.90 DYRK1A (0.46) WNT3A
SCHEMBL5832267 0.87 WNT3A (0.47) DEGS1WNT3A
SCHEMBL5832959 0.87 DEGS1 (0.45) DEGS1WNT3AGLSMCHR1
SCHEMBL5832216 0.87 HRH3 (0.47) WNT3ACDK5CDK5R1
SCHEMBL5832248 0.84 DEGS1 (0.43) DEGS1WNT3AGLS
SCHEMBL22953557 0.82 NPC1 (0.68) DEGS1NPC1RAB9AHSD17B10WNT3A
SCHEMBL22953913 0.81 EP300 (0.56) DEGS1NPC1RAB9AMCL1HSD17B10
SCHEMBL21286268 0.80 ALDH1A1 (0.66) DEGS1NPC1RAB9AHSD17B10WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US claimed
EP-1301514-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-04-16 EP claimed
WO-2002002564-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-10 WO claimed
US-7060699-B2 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-13 US disclosed
EP-1301514-B1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2005-01-26 EP disclosed
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US disclosed
EP-1301514-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-04-16 EP disclosed
WO-2002002564-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-10 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-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use CHRNA7, CHRNA5, CHRNA2 DEGS1 3817/4885NPC1 1995/4885RAB9A 2488/4885

“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.