SCHEMBL6010998

SCHEMBL6010998

C[C@]1(CN2CCC(N(Cc3ccc(OC(F)(F)F)cc3)C(=O)O)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.59
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
CHRM1 P11229 1/20 0.45
CACNA1C Q13936 1/20 0.44
SCN5A Q14524 1/20 0.44
UBE2M P61081 3/20 0.39
DCUN1D1 Q96GG9 3/20 0.39
CCR5 P51681 3/20 0.38
GCGR P47871 6/20 0.36
ADCY6 O43306 1/20 0.34
ADCY3 O60266 1/20 0.34
ADCY9 O60503 1/20 0.34
ADCY5 O95622 1/20 0.34
ADCY8 P40145 1/20 0.34
GLP1R P43220 1/20 0.34
GIPR P48546 1/20 0.34
ADCY7 P51828 1/20 0.34
ADCY2 Q08462 1/20 0.34

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
SCHEMBL6010995 1.00 KCNH2 (0.59) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL6010780 0.91 KCNH2 (0.46) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL6010794 0.91 KCNH2 (0.46) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL5535875 0.86 KCNH2 (0.60) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5535864 0.86 KCNH2 (0.60) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5536276 0.86 KCNH2 (0.64) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5536274 0.86 KCNH2 (0.64) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5536656 0.85 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5536650 0.85 KCNH2 (0.66) KCNH2PTGS1SLC6A2SLC6A4CHRM1
SCHEMBL5547608 0.84 KCNH2 (0.45) KCNH2PTGS1SLC6A2SLC6A4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 KCNH2 3503/4885PTGS1 3838/4885SLC6A2 3396/4885

“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.