SCHEMBL785076

SCHEMBL785076

CN(C(=O)c1ccc2c(c1)C(NS(C)(=O)=O)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.39
NPY5R Q15761 6/20 0.38
PRMT3 O60678 1/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
F2 P00734 1/20 0.34
PLAT P00750 1/20 0.34
KLKB1 P03952 1/20 0.34
POLB P06746 1/20 0.34
PHGDH O43175 1/20 0.34
MCHR1 Q99705 1/20 0.34

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 0.92 F10 (0.39) F10NPY5RPRMT3JAK2JAK1
SCHEMBL784494 0.90 F10 (0.39) F10NPY5RPRMT3JAK2JAK1
SCHEMBL784656 0.87 ABL1 (0.40) F10NPY5RPRMT3
SCHEMBL784978 0.86 ACHE (0.41) F10PRMT3JAK2JAK1POLB
SCHEMBL785215 0.86 CTSS (0.41) F10PRMT3
SCHEMBL784247 0.86 RORC (0.36) F10NPY5RJAK1F2
SCHEMBL785873 0.85 DRD2 (0.39) F10NPY5RPRMT3JAK2JAK1
SCHEMBL785020 0.85 POLB (0.38) PRMT3JAK2JAK1POLB
SCHEMBL784495 0.84 RORC (0.36) F10NPY5RJAK2JAK1
SCHEMBL803496 0.84 GPR119 (0.37) F10NPY5RPRMT3JAK2JAK1

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 524/4885NPY5R 54/4885PRMT3 2202/4885

“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.