SCHEMBL5567079

SCHEMBL5567079

CC(C)CN1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 14/20 0.45
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 4/20 0.37
ALDH1A1 P00352 1/20 0.37
PIK3CD O00329 1/20 0.36
USP2 O75604 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MGLL Q99685 1/20 0.33
HDAC4 P56524 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5571460 0.81 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5567219 0.80 CYP2D6 (0.41) CYP2D6CYP2C9TSHRSMN1; SMN2CYP3A4
SCHEMBL5567069 0.78 ALDH1A1 (0.31) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL27225337 0.77 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1684623 0.74 EPHX2 (0.40) SMN1; SMN2USP2
SCHEMBL1684567 0.73 CYP3A4 (0.50) CYP2D6CYP2C9TSHRSMN1; SMN2CYP3A4
SCHEMBL14206619 0.72 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5571837 0.71 CTSS (0.47) CYP2D6CYP2C9TSHRCYP3A4USP2
SCHEMBL5567146 0.71 NPFFR1 (0.48) CYP2D6TSHRCYP3A4ALDH1A1USP2
Hydrochloric Acid SCHEMBL1684690 0.71 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MEN1KMT2A

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 688/4885CYP2C9 2394/4885TSHR 3480/4885

“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.