SCHEMBL3600747

SCHEMBL3600747

CN1CCC(Oc2ccc([N+](=O)[O-])c(-c3ccccc3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRM3 P20309 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
LMNA P02545 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
MET P08581 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39

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
SCHEMBL956959 0.83 MAOA (0.48) SMN1; SMN2HTR6ALDH1A1MAOAMAOB
SCHEMBL25725414 0.81 LMNA (0.58) SMN1; SMN2ALDH1A1MAOAMAOBLMNA
SCHEMBL16514882 0.80 MAOA (0.45) SMN1; SMN2HTR6ALDH1A1TDP1MAOA
SCHEMBL22348656 0.80 MAPT (0.54) SMN1; SMN2HTR6ALDH1A1TDP1MAOA
SCHEMBL30880140 0.80 MAPT (0.54) SMN1; SMN2HTR6ALDH1A1TDP1MAOA
SCHEMBL375364 0.79 SIRT6 (0.57) SMN1; SMN2HTR6ALDH1A1TDP1MAOA
SCHEMBL29446151 0.79 SIRT6 (0.57) SMN1; SMN2HTR6ALDH1A1TDP1MAOA
SCHEMBL3591452 0.79 SMN1; SMN2 (0.52) SMN1; SMN2SCN1ASCN2ASCN3ACHRM3
SCHEMBL22236053 0.78 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1MAOAMAOB
SCHEMBL23969996 0.77 TGFBR1 (0.39) SMN1; SMN2MAOAMAOBLMNAHRH3

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
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
EP-1781623-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS Novartis AG (CH) 2007-05-09 EP disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF SMN1; SMN2 2634/4885SCN1A 3686/4885SCN2A 3786/4885

“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.