SCHEMBL6010757

SCHEMBL6010757

C[C@](O)(CN1CCN(C(=O)OCc2ccc(OC(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 4/20 0.40
ENPP2 Q13822 7/20 0.39
ATXN2 Q99700 4/20 0.39
DGAT2 Q96PD7 1/20 0.38
ALDH1A1 P00352 2/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LSS P48449 1/20 0.37
CA2 P00918 1/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL5538482 0.93 CHRM1 (0.41) CHRM1HRH2HRH1KCNH2ENPP2
SCHEMBL5538475 0.93 CHRM1 (0.41) CHRM1HRH2HRH1KCNH2ENPP2
SCHEMBL5539665 0.89 LSS (0.42) HRH2HRH1KCNH2ALDH1A1LMNA
SCHEMBL5539659 0.89 LSS (0.42) HRH2HRH1KCNH2ALDH1A1LMNA
SCHEMBL5540287 0.88 FNTA (0.40) ALDH1A1FNTAFNTBPGGT1BLMNA
SCHEMBL58326 0.84 PTGS1 (0.44) CHRM1KCNH2ENPP2ALDH1A1LMNA
SCHEMBL58327 0.84 PTGS1 (0.44) CHRM1KCNH2ENPP2ALDH1A1LMNA
SCHEMBL5536163 0.83 PTGS1 (0.43) HRH2HRH1KCNH2ENPP2ALDH1A1
SCHEMBL5536156 0.83 PTGS1 (0.43) HRH2HRH1KCNH2ENPP2ALDH1A1
SCHEMBL5538319 0.83 CHRM1 (0.41) CHRM1KCNH2

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 CHRM1 463/4885HRH2 730/4885HRH1 668/4885

“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.