SCHEMBL2885156

SCHEMBL2885156

Cc1ccc(S(=O)(=O)OC[C@H]2CCc3cccnc3C(=O)N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
OPRL1 P41146 1/20 0.34
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CRBN Q96SW2 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR6 P50406 1/20 0.32
BDKRB1 P46663 1/20 0.32

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
SCHEMBL2883540 1.00 ALDH1A1 (0.34) ALDH1A1OPRL1KMT2AHTR1ADRD2
SCHEMBL2883534 1.00 ALDH1A1 (0.34) ALDH1A1OPRL1KMT2AHTR1ADRD2
SCHEMBL344733 0.77 CRBN (0.46) ALDH1A1CRBNCYP2D6LMNAMAPT
SCHEMBL344917 0.77 CRBN (0.46) ALDH1A1CRBNCYP2D6LMNAMAPT
SCHEMBL344734 0.77 CRBN (0.46) ALDH1A1CRBNCYP2D6LMNAMAPT
SCHEMBL2885347 0.75 OPRL1 (0.35) ALDH1A1OPRL1KMT2AHTR1ADRD2
SCHEMBL2881994 0.75 OPRL1 (0.35) ALDH1A1OPRL1KMT2AHTR1ADRD2
SCHEMBL2882354 0.74 CRBN (0.45) ALDH1A1KMT2ATNKS2CRBNCYP2D6
SCHEMBL4781825 0.73 CRBN (0.41) ALDH1A1CRBNCYP2D6MAPTSMN1; SMN2
SCHEMBL1776287 0.70 CRBN (0.40) ALDH1A1CRBNCYP2D6LMNAMAPT

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-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 ALDH1A1 2000/4885OPRL1 1/4885KMT2A 2466/4885

“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.