SCHEMBL3617810

SCHEMBL3617810

CC(C)(C)OC(=O)N(Cc1ccccc1)C1C2CNCC21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.48
HSD11B1 P28845 1/20 0.45
SSTR4 P31391 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
AKT1 P31749 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM1A O60341 3/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
HTR2C P28335 2/20 0.38
SLC6A4 P31645 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL6980390 0.87 CTSD (0.53) CTSDHSD11B1HDAC3HDAC1HDAC2
SCHEMBL66459 0.83 HSD11B1 (0.46) CTSDHSD11B1SSTR4HDAC3HDAC1
SCHEMBL4294468 0.83 CTSD (0.60) CTSDSSTR4HTR2CSLC6A4CA12
SCHEMBL16031811 0.81 CTSD (0.50) CTSDHSD11B1SSTR4HDAC3HDAC1
SCHEMBL16031812 0.81 CTSD (0.50) CTSDHSD11B1SSTR4HDAC3HDAC1
SCHEMBL16031809 0.81 CTSD (0.50) CTSDHSD11B1SSTR4HDAC3HDAC1
SCHEMBL20791408 0.80 SLC6A4 (0.57) HSD11B1SLC6A4
SCHEMBL10207431 0.79 HSD11B1 (0.56) HSD11B1HDAC3HDAC1HDAC2NCOR2
SCHEMBL2729776 0.78 SLC6A2 (0.50) CTSDHSD11B1SLC6A4
SCHEMBL2729775 0.78 SLC6A2 (0.50) CTSDHSD11B1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US disclosed
EP-1828174-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-09-05 EP disclosed
WO-2006054162-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-26 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-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CTSD 2958/4885HSD11B1 1683/4885SSTR4 587/4885

“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.