SCHEMBL3072909

SCHEMBL3072909

O=[C]N1CCCC1Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CTSC P53634 2/20 0.39
CTSH P09668 1/20 0.39
CTSF Q9UBX1 1/20 0.39
USP30 Q70CQ3 3/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
GAA P10253 1/20 0.36
HRH1 P35367 1/20 0.36
FFAR4 Q5NUL3 5/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL3077812 0.90 CTSV (0.38) CTSVCTSLCTSBCTSSCTSK
SCHEMBL5010541 0.73 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAA
SCHEMBL11508468 0.72 FFAR1 (0.44) ALDH1A1SMN1; SMN2CHRNB4CHRNA3HRH1
SCHEMBL11170273 0.70 CHRNB4 (0.46) SMN1; SMN2CHRNB4CHRNA3SLC6A2SLC6A3
SCHEMBL3077907 0.70 CHRNB2 (0.55) CHRNB4CHRNA3
SCHEMBL2244976 0.70 USP30 (0.50) USP30SMN1; SMN2HRH1FFAR4SLC6A2
SCHEMBL7246918 0.70 CARM1 (0.40) SMN1; SMN2CHRNB4CHRNA3SLC6A2SLC6A3
SCHEMBL8601363 0.70 CHRNB4 (0.40) CTSVCTSLCTSBCTSSCTSK
SCHEMBL1751084 0.69 HRH3 (0.40) ALDH1A1SMN1; SMN2CHRNB4CHRNA3
SCHEMBL11498525 0.68 FFAR1 (0.40) CHRNB4CHRNA3HRH1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1707202-A1 Organic compounds Speedel Experimenta AG (CH) 2006-10-04 EP disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 CTSV 295/4885CTSL 215/4885CTSB 178/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CTSV 295/4885CTSL 215/4885CTSB 178/4885

“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.