SCHEMBL16136808

SCHEMBL16136808

C[C]1CCCC1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 7/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
ACHE P22303 1/20 0.32
CYP2A13 Q16696 1/20 0.31

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
SCHEMBL16136770 0.88 PDE4D (0.42) PDE4DSMN1; SMN2TSHRHTTALDH1A1
SCHEMBL908743 0.71 SLC18A3 (0.53) PDE4DSMN1; SMN2TSHRHTTALDH1A1
SCHEMBL1616382 0.68 PDE4D (0.38) PDE4DSMN1; SMN2TSHRHTTALDH1A1
SCHEMBL1616383 0.68 PDE4D (0.38) PDE4DSMN1; SMN2TSHRHTTALDH1A1
SCHEMBL9537080 0.67 L3MBTL3 (0.35) PDE4DSMN1; SMN2TSHRHTTALDH1A1
SCHEMBL10697281 0.67 L3MBTL3 (0.35) PDE4DSMN1; SMN2TSHRHTTALDH1A1
SCHEMBL131067 0.65 SMN1; SMN2 (0.44) PDE4DSMN1; SMN2ALDH1A1HSD17B10MEN1
SCHEMBL18660279 0.64 ALDH1A1 (0.62) PDE4DSMN1; SMN2TSHRHTTALDH1A1
SCHEMBL11340788 0.63 ALDH1A1 (0.61) PDE4DSMN1; SMN2TSHRHTTALDH1A1
SCHEMBL15324048 0.63 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1L3MBTL3CYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853281-B2 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2014-10-07 US disclosed
US-20110312964-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LTD (GB) 2011-12-22 US 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-20110312964-A1 CYSTEINE PROTEASE INHIBITORS CTSS, CTSB, CTSV PDE4D 3385/4885SMN1; SMN2 4777/4885TSHR 2037/4885

“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.