SCHEMBL2884890

SCHEMBL2884890

Cc1ccc(S(=O)(=O)OC[C@H]2CCc3cccnc3[C@H](O[Si](C)(C)C(C)(C)C)C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.33
KCNH2 Q12809 7/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
EDNRA P25101 1/20 0.31
ALDH1A1 P00352 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL2882638 1.00 OPRL1 (0.33) OPRL1KCNH2CYP3A4CYP2C19EDNRA
SCHEMBL2882647 1.00 OPRL1 (0.33) OPRL1KCNH2CYP3A4CYP2C19EDNRA
SCHEMBL12975913 0.92 ALDH1A1 (0.31) OPRL1CYP3A4CYP2C19ALDH1A1L3MBTL1
SCHEMBL12975879 0.83 OPRL1 (0.37) OPRL1KCNH2
SCHEMBL2883261 0.80 OPRL1 (0.39) OPRL1KCNH2
SCHEMBL2877878 0.80 OPRL1 (0.39) OPRL1KCNH2
SCHEMBL2881937 0.79 KMT2A (0.32) OPRL1EDNRAALDH1A1L3MBTL1
SCHEMBL2881932 0.79 KMT2A (0.32) OPRL1EDNRAALDH1A1L3MBTL1
SCHEMBL2881576 0.78 OPRL1 (0.36) OPRL1KCNH2EDNRAALDH1A1
SCHEMBL2877829 0.78 ALDH1A1 (0.30) CYP3A4CYP2C19ALDH1A1

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 OPRL1 1/4885KCNH2 969/4885CYP3A4 4560/4885

“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.