SCHEMBL5567219

SCHEMBL5567219

CC(C)CN1CCC(CN)(NC(=O)C(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 16/20 0.41
CYP3A4 P08684 13/20 0.39
CYP1A2 P05177 5/20 0.39
USP2 O75604 5/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 4/20 0.39
CYP2C9 P11712 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HDAC4 P56524 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
SCHEMBL5567079 0.80 CYP2D6 (0.45) CYP2D6CYP3A4CYP1A2USP2CYP2C19
SCHEMBL5568218 0.79 CYP3A4 (0.32) CYP3A4USP2CYP2C19TSHR
SCHEMBL5571837 0.75 CTSS (0.47) CYP2D6CYP3A4CYP1A2USP2CYP2C19
SCHEMBL5567244 0.72 HDAC2 (0.39) USP2SMN1; SMN2
SCHEMBL18484579 0.69
SCHEMBL1586974 0.68 EPHX2 (0.43) USP2SMN1; SMN2
SCHEMBL14820157 0.66 CYP3A4 (0.33) CYP3A4USP2CYP2C19TSHR
SCHEMBL22359166 0.64 CYP2D6 (0.55) CYP2D6CYP3A4CYP1A2USP2CYP2C19
SCHEMBL14805916 0.64
SCHEMBL5567057 0.64 CYP2D6 (0.39) CYP2D6CYP3A4CYP1A2USP2CYP2C19

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-7202246-B2 Spiro-rifamycin derivatives targeting RNA polymerase CUMBRE PHARMACEUTICALS INC. (US) 2007-04-10 US disclosed
US-20050277633-A1 E.g., rifamycin S derivatives such as 2',2'-Dimethyl-3,4-piperazinorifamycin S and Spiro[N-methyl-piperidine-3,4-piperazinorifamycin S; treating bacterial infections, especially those caused by rifamycin-resistant bacteria CUMBRE INC. (US) 2005-12-15 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-20050277633-A1 E.g., rifamycin S derivatives such as 2',2'-Dimethyl-3,4-piperazinorifamycin S and Spiro[N-methyl-piperidine-3,4-piperazinorifamycin S; treating bacterial infections, especially those caused by rifamycin-resistant bacteria RIF1, MAPRE1, MAPRE2 CYP2D6 688/4885CYP3A4 1738/4885CYP1A2 2083/4885

“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.