SCHEMBL29862239

SCHEMBL29862239

CC(C)(C)OC(=O)N1C[C@@H](CCC(N[S+]([O-])C(C)(C)C)c2cc(Br)ccn2)CC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.31
FPR3 P25089 1/20 0.30
FPR2 P25090 1/20 0.30
FAAH O00519 1/20 0.30
BACE1 P56817 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL23005993 1.00 AAK1 (0.31) AAK1FPR3FPR2FAAHBACE1
SCHEMBL23005999 1.00 AAK1 (0.31) AAK1FPR3FPR2FAAHBACE1
SCHEMBL23006160 0.90 TP53 (0.34) FAAH
SCHEMBL29862346 0.90 TP53 (0.34) FAAH
SCHEMBL23005914 0.90 USP30 (0.31) FAAH
SCHEMBL22983887 0.90
SCHEMBL23006415 0.88 DGAT1 (0.35) FPR3FPR2IDO1TDO2
SCHEMBL29862136 0.88 DGAT1 (0.35) FPR3FPR2IDO1TDO2
SCHEMBL23006414 0.88 DGAT1 (0.35) FPR3FPR2IDO1TDO2
SCHEMBL29862207 0.88 ADORA2B (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-10-06 US disclosed
EP-4013759-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP 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-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B AAK1 3729/4885FPR3 1648/4885FPR2 1560/4885

“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.