SCHEMBL653127

SCHEMBL653127

Cc1ccc(S(=O)(=O)N2CC3(CCNCC3)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.44
KCNA3 P22001 1/20 0.44
OXTR P30559 1/20 0.42
AKR1B1 P15121 2/20 0.41
MMP2 P08253 1/20 0.41
HTR6 P50406 1/20 0.40
ACLY P53396 1/20 0.40
AKT1 P31749 1/20 0.40
P2RX4 Q99571 1/20 0.40
OPRM1 P35372 1/20 0.40
NPY5R Q15761 1/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
NOTUM Q6P988 1/20 0.38

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
SCHEMBL25278918 0.90 NPY5R (0.42) HTR6ACLYAKT1NPY5RNOTUM
SCHEMBL6808219 0.90 CYP3A4 (0.47) MMP2HTR6ACLYAKT1NPY5R
SCHEMBL30733423 0.88 KCNN4 (0.47) KCNN4KCNA3OXTRAKR1B1MMP2
SCHEMBL17969882 0.85 HTR6 (0.46) KCNN4KCNA3OXTRAKR1B1MMP2
SCHEMBL25237931 0.84 ACLY (0.41) HTR6ACLYAKT1NPY5R
SCHEMBL38332 0.81 NPY5R (0.55) NPY5RNOTUM
SCHEMBL30051797 0.81 NPY5R (0.55) NPY5RNOTUM
Hydrochloric Acid SCHEMBL7123289 0.80 NPY5R (0.54) NPY5RNOTUM
Hydrochloric Acid SCHEMBL2888051 0.80 NPY5R (0.54) NPY5RNOTUM
SCHEMBL737327 0.79 NPY5R (0.50) AKT1NPY5RNOTUM

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 KCNN4 2778/4885KCNA3 2952/4885OXTR 4289/4885

“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.