SCHEMBL5832696

SCHEMBL5832696

Cc1ccccc1-c1ncccc1N1CCC2CCC(C1)N2C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
SMO Q99835 3/20 0.35
AVPR1A P37288 1/20 0.35
ELANE P08246 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL5832194 0.85 ADRA1D (0.43) PDE10AADRA1DADRA1AADRA1BHRH3
SCHEMBL5832679 0.80 ADRA1D (0.34) PDE10AADRA1DADRA1AADRA1B
SCHEMBL5832197 0.79 CYP2A6 (0.43)
SCHEMBL5833150 0.77 HRH4 (0.38)
SCHEMBL5832681 0.76 FAAH (0.40) HRH3
SCHEMBL5832709 0.75 CHRNB2 (0.41) HRH3
SCHEMBL5832819 0.73 PDE4D (0.49)
SCHEMBL27481970 0.67 PIK3CD (0.33)
SCHEMBL5375837 0.67 CHRNB2 (0.52)
SCHEMBL3055453 0.67 MBTD1 (0.51)

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 PDE10A 444/4885ADRA1D 43/4885ADRA1A 35/4885

“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.