SCHEMBL5568218

SCHEMBL5568218

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.32
USP2 O75604 2/20 0.31
HIF1A Q16665 1/20 0.31
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL14820157 0.86 CYP3A4 (0.33) CYP3A4USP2HIF1ATSHRCYP2C19
SCHEMBL5567219 0.79 CYP2D6 (0.41) CYP3A4USP2TSHRCYP2C19
SCHEMBL5567244 0.77 HDAC2 (0.39) USP2
SCHEMBL2127217 0.77
SCHEMBL5571460 0.77 ALDH1A1 (0.35) HIF1ACTSBCTSSCTSK
SCHEMBL1586974 0.73 EPHX2 (0.43) USP2
SCHEMBL5567075 0.70 CTSS (0.46) HIF1ACTSBCTSSCTSK
SCHEMBL14805916 0.69
SCHEMBL14270455 0.68
SCHEMBL18484579 0.68

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 CYP3A4 1738/4885USP2 4847/4885HIF1A 1954/4885

“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.