SCHEMBL2881937

SCHEMBL2881937

CC[Si](CC)(CC)OC1CC(COS(=O)(=O)c2ccc(C)cc2)Cc2cccnc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRL1 P41146 1/20 0.31
EDNRA P25101 1/20 0.30
HSD11B1 P28845 3/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL2881932 1.00 KMT2A (0.32) KMT2APTGDR2ALDH1A1KDM4ELMNA
SCHEMBL12975913 0.86 ALDH1A1 (0.31) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL2884890 0.79 OPRL1 (0.33) ALDH1A1L3MBTL1OPRL1EDNRA
SCHEMBL2882638 0.79 OPRL1 (0.33) ALDH1A1L3MBTL1OPRL1EDNRA
SCHEMBL2882647 0.79 OPRL1 (0.33) ALDH1A1L3MBTL1OPRL1EDNRA
SCHEMBL2882359 0.78 OPRL1 (0.36) OPRL1
SCHEMBL12999504 0.75 KMT2A (0.32) KMT2AALDH1A1KDM4ELMNAMAPT
SCHEMBL7723979 0.73 PSEN1 (0.47) ALDH1A1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL2883520 0.71 DPP8 (0.33) ALDH1A1KDM4EMAPTL3MBTL1OPRL1
SCHEMBL13978036 0.71 CYP2D6 (0.42) KMT2AALDH1A1KDM4ELMNAMAPT

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 KMT2A 2466/4885PTGDR2 145/4885ALDH1A1 2000/4885

“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.