SCHEMBL6611520

SCHEMBL6611520

COc1cccc(-c2cc(N3CCN4CCC3CC4)no2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
TSHR P16473 7/20 0.48
HPGD P15428 6/20 0.48
TP53 P04637 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPSR1 Q6W5P4 5/20 0.48
ALDH1A1 P00352 8/20 0.48
HTT P42858 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
KMT2A Q03164 3/20 0.47
SCD5 Q86SK9 1/20 0.46
MEN1 O00255 2/20 0.46
HRH3 Q9Y5N1 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42

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 SCHEMBL6139882 0.99 RAB9A (0.48) RAB9ANPC1TSHRHPGDTP53
SCHEMBL6615791 0.85 HRH3 (0.40) HRH3
Bromide SCHEMBL6139678 0.84 HRH3 (0.39) HRH3
SCHEMBL6612205 0.83 CHRNA7 (0.43) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
Bromide SCHEMBL6140035 0.82 CHRNA7 (0.42) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL6610561 0.80 AR (0.39) RAB9ANPC1MAPT
Bromide SCHEMBL6140069 0.79 AR (0.39) RAB9ANPC1MAPT
SCHEMBL6610846 0.78 NPC1 (0.43) RAB9ANPC1TSHRHPGDTP53
Bromide SCHEMBL6139821 0.77 NPC1 (0.42) RAB9ANPC1TSHRHPGDTP53
SCHEMBL6614486 0.77 CHRNA7 (0.52) RAB9ANPC1TP53HTTKMT2A

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 4 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
EP-1289986-A1 1,4-DIAZABICYCLO 3.2.2]NONANE-PHENYLISOXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-03-12 EP disclosed
WO-2001092259-A1 1,4-DIAZABICYCLO[3.2.2]NONANE-PHENYLISOXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2001-12-06 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-20030114461-A1 1,4-Diazabicyclo[3.2.2]nonane-phenylisoxazole derivatives, preparation and therapeutic use thereof CYC1, GLRA1, CBR1 RAB9A 2833/4885NPC1 874/4885TSHR 525/4885

“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.