SCHEMBL2881576

SCHEMBL2881576

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.36
KCNH2 Q12809 9/20 0.36
EDNRA P25101 3/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL2884939 0.81 OPRL1 (0.36) OPRL1KCNH2HDAC1HDAC6
SCHEMBL2882445 0.81 OPRL1 (0.40) OPRL1KCNH2HDAC1HDAC6
SCHEMBL2882638 0.78 OPRL1 (0.33) OPRL1KCNH2EDNRAALDH1A1
SCHEMBL2882647 0.78 OPRL1 (0.33) OPRL1KCNH2EDNRAALDH1A1
SCHEMBL2884890 0.78 OPRL1 (0.33) OPRL1KCNH2EDNRAALDH1A1
SCHEMBL13978036 0.72 CYP2D6 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15727900 0.71 CYP2D6 (0.43) ALDH1A1
SCHEMBL2882896 0.71 OPRL1 (0.51) OPRL1EDNRAALDH1A1
SCHEMBL2881932 0.71 KMT2A (0.32) OPRL1EDNRAALDH1A1
SCHEMBL7719725 0.71 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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 969/4885EDNRA 136/4885

“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.