SCHEMBL5833150

SCHEMBL5833150

CN1C2CCC1CN(c1cccnc1-c1ccsc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.38
P2RX7 Q99572 3/20 0.34
CALCRL Q16602 1/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HTR6 P50406 2/20 0.32
P2RX3 P56373 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL5832197 0.81 CYP2A6 (0.43)
SCHEMBL5832696 0.77 PDE10A (0.39)
SCHEMBL5832819 0.75 PDE4D (0.49) SLC6A4SLC6A3SLC6A2
SCHEMBL5832065 0.74 HRH4 (0.47) HRH4HTR6P2RX3
SCHEMBL5832194 0.74 ADRA1D (0.43) DRD2
SCHEMBL5832681 0.74 FAAH (0.40)
SCHEMBL27481970 0.70 PIK3CD (0.33)
SCHEMBL5832679 0.70 ADRA1D (0.34) DRD2DRD4DRD3
SCHEMBL2678170 0.66 HTR6 (0.38) HRH4DRD2DRD3HTR6
SCHEMBL3387347 0.66 CHRNA7 (0.45) HRH4HTR6

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 10 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
CN-1440411-A Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2003-09-03 CN 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
CN-1185233-C Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2005-01-19 CN disclosed
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US disclosed
CN-1440411-A Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2003-09-03 CN 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 HRH4 309/4885P2RX7 232/4885CALCRL 1091/4885

“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.