SCHEMBL784494

SCHEMBL784494

CCCS(=O)(=O)NC1CCc2ccc(C(=O)N(C)C3CCN(c4ccc5cnccc5c4)CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.39
SLC6A9 P48067 2/20 0.35
KCNH2 Q12809 2/20 0.35
F2 P00734 1/20 0.35
PLAT P00750 1/20 0.35
KLKB1 P03952 1/20 0.35
PRMT3 O60678 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
DRD2 P14416 1/20 0.35
NPY5R Q15761 2/20 0.34
MCHR1 Q99705 2/20 0.33
ROCK2 O75116 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL785319 0.95 F10 (0.39) F10F2PLATKLKB1PRMT3
SCHEMBL785076 0.90 F10 (0.39) F10F2PLATKLKB1PRMT3
SCHEMBL784247 0.87 RORC (0.36) F10F2NPY5RJAK1
SCHEMBL785873 0.86 DRD2 (0.39) F10KCNH2PRMT3DRD2NPY5R
SCHEMBL784495 0.85 RORC (0.36) F10NPY5RROCK2JAK2JAK1
SCHEMBL784733 0.85 GALR3 (0.40) F10SLC6A9ROCK2
SCHEMBL784656 0.84 ABL1 (0.40) F10KCNH2PRMT3DRD2NPY5R
SCHEMBL785442 0.83 PRMT3 (0.36) F10PRMT3NPY5RMCHR1ROCK2
SCHEMBL785344 0.83 PSMB11 (0.36) F10PRMT3DRD2NPY5RMCHR1
SCHEMBL785229 0.83 HCRTR1 (0.36) F10PRMT3MCHR1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 F10 524/4885SLC6A9 2852/4885KCNH2 77/4885

“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.