SCHEMBL6188224

SCHEMBL6188224

c1ccc(CN2CC3CC(C2)CN(c2ccc4ccccc4n2)C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.47
HRH3 Q9Y5N1 4/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTR3E A5X5Y0 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTR3B O95264 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
USP2 O75604 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
MAPK1 P28482 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL6624775 0.84 HRH3 (0.63) PDE10AHRH3NPC1RAB9AHTR3E
SCHEMBL6204221 0.81 ALDH1A1 (0.51) HTR3EHTR3BALDH1A1CYP1A2HTR3A
SCHEMBL6201989 0.80 KDM4E (0.57) NPC1RAB9AKDM4EALDH1A1ADRB1
SCHEMBL6231596 0.79 HRH3 (0.68) HRH3NPC1RAB9AHTR3EKDM4E
SCHEMBL6204222 0.79 HRH3 (0.60) PDE10AHRH3NPC1RAB9AHTR3E
SCHEMBL2955795 0.78 FUCA1 (0.60) ALDH1A1CYP1A2CYP3A4
SCHEMBL6202242 0.77 CHRNA7 (0.55) HRH3CYP1A2HTT
SCHEMBL6201186 0.75 HRH3 (0.43) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL6202179 0.75 CHRNA7 (0.65) HTR3A
SCHEMBL20488466 0.74 FUCA1 (0.60) ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274710-B1 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH AS (DK) 2005-02-23 EP claimed
US-6815438-B2 CENTRAL NERVOUS SYSTEM DISORDERS NEUROSEARCH A/S (DK) 2004-11-09 US claimed
US-20040147505-A1 Novel heteroaryl-diazabicyclo alkanes as cns-modulators NEUROSEARCH A/S (DK) 2004-07-29 US claimed
EP-1397365-A1 NOVEL HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NeuroSearch A/S (DK) 2004-03-17 EP claimed
EP-1274710-A2 NOVEL HETEROARYL-DIAZABICYCLOALKANES NeuroSearch A/S (DK) 2003-01-15 EP claimed
US-20030004153-A1 Novel heteroaryl-diazabicycloalkanes NEUROSEARCH A/S (DK) 2003-01-02 US claimed
WO-2002096911-A1 NOVEL HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NEUROSEARCH A/S (DK) 2002-12-05 WO claimed
WO-2001044243-A2 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH A/S (DK) 2001-06-21 WO claimed
EP-1274710-B1 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH AS (DK) 2005-02-23 EP disclosed
EP-1397365-B1 HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NEUROSEARCH AS (DK) 2005-02-16 EP disclosed
US-6815438-B2 CENTRAL NERVOUS SYSTEM DISORDERS NEUROSEARCH A/S (DK) 2004-11-09 US disclosed
US-20040147505-A1 Novel heteroaryl-diazabicyclo alkanes as cns-modulators NEUROSEARCH A/S (DK) 2004-07-29 US disclosed
EP-1397365-A1 NOVEL HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NeuroSearch A/S (DK) 2004-03-17 EP disclosed
EP-1274710-A2 NOVEL HETEROARYL-DIAZABICYCLOALKANES NeuroSearch A/S (DK) 2003-01-15 EP disclosed
US-20030004153-A1 Novel heteroaryl-diazabicycloalkanes NEUROSEARCH A/S (DK) 2003-01-02 US disclosed
WO-2002096911-A1 NOVEL HETEROARYL-DIAZABICYCLO-ALKANES AS CNS-MODULATORS NEUROSEARCH A/S (DK) 2002-12-05 WO disclosed
WO-2001044243-A2 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH A/S (DK) 2001-06-21 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-20030004153-A1 Novel heteroaryl-diazabicycloalkanes CHRNA2, CHRNA5, CHRNA6 PDE10A 771/4885HRH3 286/4885NPC1 2807/4885
US-20040147505-A1 Novel heteroaryl-diazabicyclo alkanes as cns-modulators CHRNA3, CHRNA5, CHRNA2 PDE10A 598/4885HRH3 335/4885NPC1 1627/4885

“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.