SCHEMBL13721202

SCHEMBL13721202

CC1(C)[C@H]2CC[C@@H](CC(=O)Nn3nc(CN(C(=O)O)C(C)(C)C)c4ccccc4c3=O)[C@@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OGFRL1 Q5TC84 5/20 0.39
▸ OPRM1 P35372 6/20 0.39
▸ OPRK1 P41145 6/20 0.39
▸ OPRD1 P41143 5/20 0.39
▸ CNR2 P34972 3/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ EPHX2 P34913 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
SCHEMBL13721204 1.00 OGFRL1 (0.39) OGFRL1OPRM1OPRK1OPRD1CNR2
SCHEMBL16156008 0.83 OGFRL1 (0.42) OGFRL1OPRM1OPRK1OPRD1CNR2
SCHEMBL16156007 0.83 OGFRL1 (0.42) OGFRL1OPRM1OPRK1OPRD1CNR2
SCHEMBL13720349 0.83 HPGD (0.37) SMN1; SMN2ALDH1A1LMNATSHRHTT
SCHEMBL13720913 0.81 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNATSHRHTT
SCHEMBL13720752 0.80 CHRNA7 (0.37) CNR2SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL1787041 0.76 RAB9A (0.45) CNR2CNR1SMN1; SMN2ALDH1A1
SCHEMBL1787044 0.76 RAB9A (0.45) CNR2CNR1SMN1; SMN2ALDH1A1
SCHEMBL30796416 0.76 RAB9A (0.45) CNR2CNR1SMN1; SMN2ALDH1A1
SCHEMBL1788438 0.76 MEN1 (0.44) ALDH1A1LMNA

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-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — US claimed
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — 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-20120289500-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 OGFRL1 861/4885OPRM1 542/4885OPRK1 190/4885

“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.

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