SCHEMBL4776051

SCHEMBL4776051

OCC(CO)CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.46
KCNA5 P22460 1/20 0.45
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
IGF1R P08069 1/20 0.41
CHRM4 P08173 2/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 2/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL19095368 0.86 MAPT (0.47) CACNA1GKCNA5MEN1KMT2ASLC6A2
SCHEMBL4778842 0.84 HSP90AB1 (0.40) CACNA1GKCNA5MEN1KMT2ASLC6A2
SCHEMBL4887895 0.83 CHRM4 (0.40) CACNA1GKCNA5MEN1KMT2ASLC6A2
SCHEMBL17432438 0.79 PPARD (0.49) CACNA1GKCNA5MEN1KMT2AALDH1A1
SCHEMBL19538665 0.78 TSHR (0.68) KCNA5KMT2AALDH1A1TSHRPPARD
SCHEMBL19095372 0.77 ALDH1A1 (0.43) CACNA1GKCNA5MEN1KMT2ASLC6A2
SCHEMBL2093175 0.77 ALDH1A1 (0.50) KCNA5MEN1KMT2ASLC6A2SLC6A4
SCHEMBL22963896 0.76 HRH3 (0.58) KCNA5TSHRPPARDPPARACHRM4
SCHEMBL5536931 0.76 KCNA5 (0.53) KCNA5KMT2AALDH1A1CHRM4MAPT
SCHEMBL30022640 0.75 KCNA5 (0.51) KCNA5MEN1KMT2APPARDPPARA

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-20080275035-A1 Nitroimidazole Compounds JIRICEK JAN 2008-11-06 US disclosed
EP-1984369-A2 NITROIMIDAZOLE COMPOUNDS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2007075872-A2 NITROIMIDAZOLE COMPOUNDS NOVARTIS AG (CH) 2007-07-05 WO 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-20080275035-A1 Nitroimidazole Compounds NQO2, NQO1, MT-ND2 CACNA1G 3640/4885KCNA5 2226/4885ADRA2A 2091/4885

“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.