SCHEMBL5658405

SCHEMBL5658405

O=C1c2ccccc2CN1CC1CCN(CCc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.51
HTR2A P28223 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
ACHE P22303 5/20 0.48
SIGMAR1 Q99720 2/20 0.47
BCHE P06276 1/20 0.42
DRD2 P14416 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
HTR7 P34969 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PARP1 P09874 1/20 0.39
MTR Q99707 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
Hydrochloric Acid SCHEMBL5658043 0.99 HTR1A (0.50) HTR1AHTR2ATMEM97ACHESIGMAR1
SCHEMBL5658261 0.84 HTR1A (0.53) HTR1AHTR2ATMEM97ACHESIGMAR1
SCHEMBL5660518 0.84 ACHE (0.54) HTR1AHTR2ATMEM97ACHEDRD2
Hydrochloric Acid SCHEMBL5658391 0.83 HTR1A (0.53) HTR1AHTR2ATMEM97ACHESIGMAR1
SCHEMBL5658875 0.82 HTR1A (0.52) HTR1AHTR2ATMEM97ACHEDRD2
SCHEMBL5661060 0.81 HTR1A (0.53) HTR1AHTR2ATMEM97SIGMAR1DRD2
SCHEMBL5660496 0.81 HTR1A (0.62) HTR1AHTR2ATMEM97ACHEDRD2
SCHEMBL5659084 0.81 ACHE (0.62) HTR1AHTR2ATMEM97ACHEDRD2
Hydrochloric Acid SCHEMBL5658805 0.80 KCNH2 (0.54) HTR1AHTR2ATMEM97SIGMAR1DRD2
Hydrochloric Acid SCHEMBL5658146 0.80 ACHE (0.61) HTR1AHTR2ATMEM97ACHEDRD2

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-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP 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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 HTR1A 79/4885HTR2A 153/4885TMEM97 10/4885

“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.