SCHEMBL5248309

SCHEMBL5248309

Cc1cccc(C(=O)CN2CCC(CN3Cc4ccccc4C3=O)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.70
HTR2A P28223 1/20 0.70
TMEM97 Q5BJF2 1/20 0.70
PARP1 P09874 3/20 0.52
PARP2 Q9UGN5 2/20 0.52
ALDH1A1 P00352 1/20 0.46
ALDH3A1 P30838 1/20 0.46
ACHE P22303 2/20 0.44
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
PREP P48147 2/20 0.41
DPP4 P27487 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41

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 SCHEMBL5247982 0.94 HTR1A (0.64) HTR1AHTR2ATMEM97PARP1PARP2
Fumaric Acid SCHEMBL5247994 0.94 HTR1A (0.64) HTR1AHTR2ATMEM97PARP1PARP2
SCHEMBL5248573 0.89 HTR1A (0.81) HTR1AHTR2ATMEM97PARP1PARP2
SCHEMBL5250232 0.88 HTR1A (0.84) HTR1AHTR2ATMEM97PARP1ALDH1A1
SCHEMBL5248903 0.88 HTR2A (0.70) HTR1AHTR2ATMEM97PARP1PARP2
Hydrochloric Acid SCHEMBL5251886 0.88 HTR1A (0.79) HTR1AHTR2ATMEM97PARP1PARP2
SCHEMBL5249165 0.87 HTR1A (0.67) HTR1AHTR2ATMEM97ALDH1A1ACHE
Hydrochloric Acid SCHEMBL5250528 0.87 HTR1A (0.82) HTR1AHTR2ATMEM97PARP1ALDH1A1
SCHEMBL20274287 0.85 HTR1A (0.66) HTR1AHTR2ATMEM97PARP1PARP2
SCHEMBL5251937 0.85 HTR1A (0.74) HTR1AHTR2ATMEM97PARP1ALDH1A1

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
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

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.