SCHEMBL5251963

SCHEMBL5251963

COc1ccccc1OCCN1CCC(CN2Cc3ccccc3C2=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.54
HTR2A P28223 3/20 0.53
HTR1A P08908 2/20 0.53
TMEM97 Q5BJF2 1/20 0.53
DRD3 P35462 3/20 0.53
HTR7 P34969 2/20 0.53
DRD2 P14416 2/20 0.53
DRD5 P21918 1/20 0.53
SCN1A P35498 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
ADRA1A P35348 5/20 0.49
ADRA1B P35368 5/20 0.49
ACHE P22303 1/20 0.48
HTR2B P41595 2/20 0.47
DRD4 P21917 1/20 0.45

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
Fumaric Acid SCHEMBL5255043 0.93 HTR2A (0.52) HTR2CHTR2AHTR1ATMEM97DRD3
Fumaric Acid SCHEMBL5255046 0.93 HTR2A (0.52) HTR2CHTR2AHTR1ATMEM97DRD3
SCHEMBL5249979 0.90 KDM4E (0.54) HTR2CHTR2AHTR1ATMEM97DRD3
SCHEMBL5248236 0.88 HTR1A (0.58) HTR2CHTR2AHTR1ATMEM97DRD3
SCHEMBL5252497 0.88 TMEM97 (0.51) HTR2CHTR2AHTR1ATMEM97DRD3
SCHEMBL5661060 0.85 HTR1A (0.53) HTR2AHTR1ATMEM97DRD3HTR7
SCHEMBL5253127 0.85 SCN1A (0.52) HTR2CHTR2AHTR1ATMEM97DRD3
SCHEMBL5249839 0.85 ACHE (0.55) HTR2AHTR1ATMEM97DRD3HTR7
Hydrochloric Acid SCHEMBL5658805 0.84 KCNH2 (0.54) HTR2AHTR1ATMEM97DRD3HTR7
SCHEMBL5255035 0.83 HTR2A (0.64) HTR2AHTR1ATMEM97HTR7DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1260512-B1 NOVEL CYCLIC AMIDE DERIVATIVES MITSUBISHI PHARMA CORP (JP) 2007-07-04 EP disclosed
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 HTR2C 78/4885HTR2A 153/4885HTR1A 79/4885

“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.