SCHEMBL3090838

SCHEMBL3090838

COc1cc(C)c(S(=O)(=O)N2CCCc3ccc(CC(=O)N4CCC5(CCC(N6CC(F)(F)C6)CC5)CC4)cc32)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.40
CHRM2 P08172 3/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
BDKRB1 P46663 7/20 0.37
CPT1A P50416 2/20 0.37
CPT1B Q92523 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CCR3 P51677 1/20 0.35
CPT2 P23786 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3084047 0.93 BDKRB1 (0.41) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL3090095 0.90 GHSR (0.42) GHSRCHRM2CYP3A4HTR2BKCNH2
Hydrochloric Acid SCHEMBL3082447 0.89 GHSR (0.41) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL3095999 0.85 CPT1A (0.42) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL3096403 0.83 GHSR (0.39) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL3729285 0.83 L3MBTL1 (0.40) GHSRCHRM2CYP3A4HTR2BKCNH2
Hydrochloric Acid SCHEMBL3084705 0.82 L3MBTL1 (0.39) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL3084269 0.81 CYP2D6 (0.47) GHSRCYP3A4L3MBTL1ALDH1A1
SCHEMBL3091486 0.81 CPT1A (0.39) GHSRCHRM2CYP3A4HTR2BKCNH2
SCHEMBL3101942 0.80 CYP3A4 (0.46) GHSRCYP3A4CPT1ACPT1BALDH1A1

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-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
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 GHSR 803/4885CHRM2 758/4885CYP3A4 1215/4885

“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.