SCHEMBL651529

SCHEMBL651529

CNC(=O)[C@@H]1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
OPRD1 P41143 5/20 0.38
KCNH2 Q12809 4/20 0.38
SIGMAR1 Q99720 1/20 0.35
CYP3A4 P08684 1/20 0.34
LPAR1 Q92633 1/20 0.34
MCHR2 Q969V1 2/20 0.33
NAE1 Q13564 1/20 0.33
UBA3 Q8TBC4 1/20 0.33
CYP2D6 P10635 4/20 0.32
HSD11B2 P80365 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRM1 P35372 1/20 0.32
SLC6A2 P23975 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 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
SCHEMBL14272835 0.84 SIGMAR1 (0.40) HSD11B1OPRD1KCNH2SIGMAR1CYP3A4
SCHEMBL30488771 0.84 SIGMAR1 (0.40) HSD11B1OPRD1KCNH2SIGMAR1CYP3A4
SCHEMBL231633 0.84 SIGMAR1 (0.40) HSD11B1OPRD1KCNH2SIGMAR1CYP3A4
SCHEMBL1222859 0.83 HSD11B1 (0.51) HSD11B1OPRD1KCNH2SIGMAR1CYP2D6
SCHEMBL17969874 0.83 HSD11B1 (0.47) HSD11B1OPRD1KCNH2SIGMAR1CYP3A4
SCHEMBL5311623 0.81 OPRD1 (0.54) HSD11B1OPRD1KCNH2SIGMAR1CYP2D6
SCHEMBL14530302 0.81 OPRD1 (0.54) HSD11B1OPRD1KCNH2SIGMAR1CYP2D6
SCHEMBL8100165 0.79 MCHR2 (0.42) HSD11B1OPRD1KCNH2SIGMAR1MCHR2
SCHEMBL14530143 0.78 OPRD1 (0.43) HSD11B1OPRD1KCNH2CYP2D6OPRK1
SCHEMBL13689881 0.78 KDM1A (0.37) HSD11B1OPRD1KCNH2SIGMAR1CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2023924-B1 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2016-08-03 EP disclosed
EP-2023924-B1 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2016-08-03 EP disclosed
US-8119652-B2 Aryl-fused spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-8119652-B2 Aryl-fused spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-8119652-B2 Aryl-fused spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2012-02-21 US disclosed
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
WO-2007136605-A2 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 WO 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-20090239849-A1 Aryl-Fused Spirocyclic Compounds HDAC1, BRDT, HDAC5 HSD11B1 1138/4885OPRD1 3603/4885KCNH2 2306/4885

“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.