SCHEMBL652661

SCHEMBL652661

CCOC(=O)NC1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
MCHR2 Q969V1 8/20 0.41
DRD2 P14416 2/20 0.40
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 1/20 0.38
NAE1 Q13564 2/20 0.37
UBA3 Q8TBC4 2/20 0.37
ATM Q13315 1/20 0.37
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL12084784 1.00 OPRM1 (0.43) OPRM1MCHR2DRD2SLC6A4KCNH2
SCHEMBL8311865 0.86 NAAA (0.45) MCHR2
SCHEMBL17969877 0.85 MCHR2 (0.46) OPRM1MCHR2DRD2SLC6A4KCNH2
SCHEMBL12084760 0.83 MCHR2 (0.53) MCHR2DRD2SLC6A4KCNH2NAE1
SCHEMBL7632592 0.83 MCHR2 (0.53) MCHR2DRD2SLC6A4KCNH2NAE1
SCHEMBL8100165 0.81 MCHR2 (0.42) MCHR2DRD2SLC6A4KCNH2NAE1
SCHEMBL12316034 0.80 KMT2A (0.43) MCHR2DRD2SLC6A4KCNH2NAE1
SCHEMBL8106137 0.80 OPRM1 (0.46) OPRM1HTTTDP1
SCHEMBL12084830 0.79 KDM1A (0.46) MCHR2DRD2SLC6A4KCNH2NAE1
Hydrochloric Acid SCHEMBL8316273 0.79 OPRM1 (0.45) OPRM1HTTTDP1

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 11 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
EP-2023924-A2 ARYL-FUSED SPIROCYCLIC COMPOUNDS Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2007136605-A2 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 WO 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 OPRM1 4745/4885MCHR2 4247/4885DRD2 3978/4885

“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.