SCHEMBL3077812

SCHEMBL3077812

O=[C]N1CCC1Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSC P53634 2/20 0.38
HRH1 P35367 1/20 0.38
CTSH P09668 1/20 0.38
CTSF Q9UBX1 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
USP30 Q70CQ3 3/20 0.37
SLC6A4 P31645 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
GAA P10253 1/20 0.35
EPHX2 P34913 1/20 0.34
DRD2 P14416 2/20 0.33

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
SCHEMBL3072909 0.90 CTSV (0.39) CTSVCTSLCTSBCTSSCTSK
SCHEMBL30608945 0.71 USP30 (0.43) CTSVCTSLCTSBCTSSCTSK
SCHEMBL2244976 0.69 USP30 (0.50) HRH1SLC6A2SLC6A3USP30SLC6A4
SCHEMBL24804361 0.67 SLC6A2 (0.56) HRH1SLC6A2SLC6A3SLC6A4CARM1
SCHEMBL9469117 0.67 SLC6A2 (0.43) CTSVCTSLCTSBCTSSCTSK
SCHEMBL2654680 0.66
SCHEMBL30387268 0.66 KMT2A (0.42) GAACHRNA7HTR3AALDH1A1
SCHEMBL5010541 0.66 ALDH1A1 (0.51) GAACHRNA7HTR3AALDH1A1SMN1; SMN2
SCHEMBL8601363 0.66 CHRNB4 (0.40) CTSVCTSLCTSBCTSSCTSK
SCHEMBL11170273 0.66 CHRNB4 (0.46) SLC6A2SLC6A3CARM1PRMT6CHRNA7

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.