SCHEMBL3591452

SCHEMBL3591452

CN1CCC(Oc2ccc(N)c(-c3ccccc3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
HRH3 Q9Y5N1 3/20 0.46
CHRM3 P20309 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
MET P08581 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL8266763 0.82 HTR1A (0.46) SMN1; SMN2SCN1ASCN2ASCN3AHRH3
SCHEMBL3591451 0.81 SCN1A (0.53) SMN1; SMN2SCN1ASCN2ASCN3ACHRM3
SCHEMBL1645653 0.81 HRH3 (0.54) SMN1; SMN2HRH3MAOAMAOBTGFBR1
SCHEMBL8266796 0.81 CXCR1 (0.55) HRH3MAOAMAOBKCNH2KIT
SCHEMBL3600747 0.79 SMN1; SMN2 (0.47) SMN1; SMN2SCN1ASCN2ASCN3AHRH3
SCHEMBL13091424 0.79 HRH3 (0.51) SMN1; SMN2HRH3MAOAMAOBTGFBR1
SCHEMBL14624130 0.79 SMN1; SMN2 (0.55) SMN1; SMN2SCN1ASCN2ASCN3AHRH3
SCHEMBL16513840 0.77 HRH3 (0.50) SMN1; SMN2HRH3MAOAMAOB
SCHEMBL25725413 0.77 HRH3 (0.50) SMN1; SMN2HRH3MAOAMAOBTGFBR1
SCHEMBL375544 0.76 HRH3 (0.52) SMN1; SMN2HRH3MAOAMAOBTGFBR1

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.