SCHEMBL3084047

SCHEMBL3084047

COc1cc(C)c(S(=O)(=O)N2CCCc3ccc(CC(=O)N4CCC5(CCC(N6CCC6)CC5)CC4)cc32)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.41
GHSR Q92847 4/20 0.40
CPT1A P50416 3/20 0.40
CPT1B Q92523 3/20 0.40
CHRM2 P08172 3/20 0.40
CYP3A4 P08684 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
CCR3 P51677 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CPT2 P23786 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
HRH3 Q9Y5N1 2/20 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
SCHEMBL3090838 0.93 GHSR (0.40) BDKRB1GHSRCPT1ACPT1BCHRM2
SCHEMBL3090095 0.91 GHSR (0.42) BDKRB1GHSRCPT1ACPT1BCHRM2
Hydrochloric Acid SCHEMBL3082447 0.90 GHSR (0.41) BDKRB1GHSRCPT1ACPT1BCHRM2
SCHEMBL3096403 0.86 GHSR (0.39) BDKRB1GHSRCPT1ACPT1BCHRM2
SCHEMBL3095999 0.86 CPT1A (0.42) GHSRCPT1ACPT1BCHRM2CYP3A4
SCHEMBL3729285 0.85 L3MBTL1 (0.40) GHSRCPT1ACPT1BCHRM2CYP3A4
Hydrochloric Acid SCHEMBL3084705 0.84 L3MBTL1 (0.39) GHSRCPT1ACPT1BCHRM2CYP3A4
SCHEMBL3084269 0.84 CYP2D6 (0.47) GHSRCYP3A4L3MBTL1ALDH1A1TSHR
SCHEMBL3091486 0.82 CPT1A (0.39) BDKRB1GHSRCPT1ACPT1BCHRM2
SCHEMBL3101942 0.81 CYP3A4 (0.46) GHSRCPT1ACPT1BCYP3A4ALDH1A1

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 BDKRB1 1/4885GHSR 803/4885CPT1A 4096/4885

“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.