SCHEMBL3091889

SCHEMBL3091889

COc1cc(C)c(S(=O)(=O)N2CCCc3ccc(CC(=O)N4CCC5(CC4)CCN(Cc4ccccc4)C5=O)cc32)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
CPT1A P50416 2/20 0.40
CPT1B Q92523 2/20 0.40
ALDH1A1 P00352 4/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPY5R Q15761 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
TSHR P16473 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
LMNA P02545 1/20 0.37
CPT2 P23786 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3100254 0.89 RIPK1 (0.44) L3MBTL1CPT1ACPT1BALDH1A1HDAC1
SCHEMBL3089423 0.84 CYP2D6 (0.47) L3MBTL1CPT1ACPT1BALDH1A1SIGMAR1
SCHEMBL3095999 0.82 CPT1A (0.42) L3MBTL1CPT1ACPT1BALDH1A1SMN1; SMN2
SCHEMBL3729285 0.80 L3MBTL1 (0.40) L3MBTL1CPT1ACPT1BALDH1A1SMN1; SMN2
SCHEMBL3088253 0.80 CPT1A (0.55) L3MBTL1CPT1ACPT1BALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3084705 0.79 L3MBTL1 (0.39) L3MBTL1CPT1ACPT1BALDH1A1SMN1; SMN2
SCHEMBL3103081 0.79 RIPK1 (0.41) L3MBTL1HDAC1HDAC6SMN1; SMN2KMT2A
SCHEMBL3084047 0.78 BDKRB1 (0.41) L3MBTL1CPT1ACPT1BALDH1A1TSHR
SCHEMBL3090095 0.78 GHSR (0.42) L3MBTL1CPT1ACPT1BALDH1A1TSHR
SCHEMBL3084269 0.78 CYP2D6 (0.47) L3MBTL1ALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP claimed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US claimed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US claimed
EP-2393812-B1 SUBSTITUTED SPIROAMIDES AS B1R-MODULATORS GRUENENTHAL GMBH (DE) 2013-07-03 EP disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B L3MBTL1 4344/4885CPT1A 4096/4885CPT1B 2820/4885

“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.