SCHEMBL6612205

SCHEMBL6612205

c1ccc(-c2cc(N3CCN4CCC3CC4)no2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.43
HTR3A P46098 1/20 0.43
SCD5 Q86SK9 6/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
NOTUM Q6P988 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SCD O00767 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
Bromide SCHEMBL6140035 0.99 CHRNA7 (0.42) CHRNA7HTR3ASCD5RAB9ANPC1
SCHEMBL6614486 0.88 CHRNA7 (0.52) CHRNA7HTR3ARAB9ANPC1MEN1
SCHEMBL6610846 0.86 NPC1 (0.43) CHRNA7HTR3ARAB9ANPC1SMN1; SMN2
Bromide SCHEMBL6140198 0.86 CHRNA7 (0.51) CHRNA7HTR3ARAB9ANPC1MEN1
SCHEMBL6615791 0.86 HRH3 (0.40) CHRNA7HTR3AKCNH2
Bromide SCHEMBL6139821 0.85 NPC1 (0.42) CHRNA7HTR3ARAB9ANPC1SMN1; SMN2
Bromide SCHEMBL6139678 0.85 HRH3 (0.39) CHRNA7HTR3AKCNH2
SCHEMBL6610561 0.83 AR (0.39) CHRNA7RAB9ANPC1
SCHEMBL6611520 0.83 RAB9A (0.48) SCD5RAB9ANPC1SMN1; SMN2MEN1
Bromide SCHEMBL6139882 0.82 RAB9A (0.48) SCD5RAB9ANPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289986-B1 1,4-DIAZABICYCLO 3.2.2]NONANE-PHENYLISOXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2004-04-28 EP disclosed
US-20030114461-A1 1,4-Diazabicyclo[3.2.2]nonane-phenylisoxazole derivatives, preparation and therapeutic use thereof SANOFI (FR) 2003-06-19 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-20030114461-A1 1,4-Diazabicyclo[3.2.2]nonane-phenylisoxazole derivatives, preparation and therapeutic use thereof CYC1, GLRA1, CBR1 CHRNA7 207/4885HTR3A 769/4885SCD5 4251/4885

“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.