SCHEMBL4891105

SCHEMBL4891105

CC1(C)OCC(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CO1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 10/20 0.45
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
KCNH2 Q12809 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KCNA5 P22460 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL5538487 0.79 KCNH2 (0.44) CHRM4KCNH2ALDH1A1TSHRKCNA5
SCHEMBL5538491 0.79 KCNH2 (0.44) CHRM4KCNH2ALDH1A1TSHRKCNA5
SCHEMBL19538665 0.76 TSHR (0.68) CHRM4ALDH1A1TSHRKCNA5PPARD
SCHEMBL1778054 0.73 CHRM4 (0.49) CHRM4KCNH2
SCHEMBL5534678 0.73 KMT2A (0.52) CHRM4ALDH1A1TSHRKCNA5PPARD
SCHEMBL2093175 0.72 ALDH1A1 (0.50) CHRM4HTR1AALDH1A1TSHRKCNA5
SCHEMBL2095351 0.71 HSD17B10 (0.49) HTR1AKCNH2ALDH1A1TSHRKCNA5
SCHEMBL2056156 0.71 DRD2 (0.56) HTR1AKCNH2ALDH1A1TSHR
SCHEMBL2056171 0.71 ALDH1A1 (0.59) KCNH2ALDH1A1KCNA5
SCHEMBL2056186 0.71 CHRM4 (0.55) CHRM4KCNH2TSHR

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-20080275035-A1 Nitroimidazole Compounds JIRICEK JAN 2008-11-06 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-20080275035-A1 Nitroimidazole Compounds NQO2, NQO1, MT-ND2 CHRM4 2666/4885HTR1A 4232/4885ADRA1D 1786/4885

“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.