SCHEMBL3592341

SCHEMBL3592341

O=C1c2ccccc2C(=O)N1CCCN1CCCC1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
HTR1A P08908 5/20 0.49
HTR7 P34969 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
MAOB P27338 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL11808314 0.84 HEXA (0.51) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL8590229 0.80 MAPK1 (0.42) SMN1; SMN2MAPK1ALDH1A1LMNAMAPT
SCHEMBL8542792 0.79 OPRM1 (0.54) SMN1; SMN2MAPK1DRD3
SCHEMBL3594198 0.77 CHRNB2 (0.53) DRD3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3589627 0.77 CHRNB2 (0.53) ALDH1A1HPGDCHRNB2CHRNB4CHRNA3
SCHEMBL9673637 0.77 CHRNB2 (0.53) DRD3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11938966 0.77 CHRNB2 (0.57) DRD3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9673634 0.77 CHRNB2 (0.53) DRD3CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11196977 0.77 HTR1A (0.53) HTR1AHTR7HRH1DRD3HTR2B
SCHEMBL8539067 0.76 HTR1A (0.50) ALDH1A1LMNAHTR1ACHRNA7

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 2634/4885MAPK1 2664/4885ALDH1A1 4107/4885

“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.