SCHEMBL2332861

SCHEMBL2332861

COC[C@H]1CCCN1c1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
CDC42BPB Q9Y5S2 1/20 0.44
FPR1 P21462 4/20 0.43
FPR2 P25090 4/20 0.43
FFAR1 O14842 3/20 0.42
SYK P43405 1/20 0.41
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
NMT1 P30419 2/20 0.38
HDAC1 Q13547 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
CRHR1 P34998 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL2326646 1.00 ROCK2 (0.44) ROCK2ROCK1CDC42BPBFPR1FPR2
SCHEMBL2333492 1.00 ROCK2 (0.44) ROCK2ROCK1CDC42BPBFPR1FPR2
SCHEMBL791983 0.84 FFAR1 (0.49) FPR1FPR2FFAR1CHRNB4CHRNA3
SCHEMBL30097125 0.84 FFAR1 (0.49) FPR1FPR2FFAR1CHRNB4CHRNA3
SCHEMBL12082307 0.83 FFAR1 (0.56) ROCK2ROCK1CDC42BPBFPR1FPR2
SCHEMBL12082229 0.83 FFAR1 (0.56) ROCK2ROCK1CDC42BPBFPR1FPR2
SCHEMBL1983501 0.82 AR (0.46) FFAR1
SCHEMBL2447116 0.81 FPR1 (0.47) ROCK2ROCK1CDC42BPBFPR1FPR2
SCHEMBL2448887 0.81 FPR1 (0.47) ROCK2ROCK1CDC42BPBFPR1FPR2
SCHEMBL12004750 0.81 FPR1 (0.47) ROCK2ROCK1CDC42BPBFPR1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812389-B1 AZABICYCLOHEPTYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-08-17 EP disclosed
US-7834048-B2 Azabicycloheptyl compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2010-11-16 US disclosed
US-20090048326-A1 Azabicycloheptyl compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-02-19 US 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-20090048326-A1 Azabicycloheptyl compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor DRD3, NR3C1, NR3C2 ROCK2 2755/4885ROCK1 1634/4885CDC42BPB 1661/4885

“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.