SCHEMBL5249794

SCHEMBL5249794

N#Cc1ccc2c(c1)CN(CC1CCN(CCOc3ccc(F)cc3)CC1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 3/20 0.43
ADAM17 P78536 2/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 1/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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 SCHEMBL5250587 0.93 HTR1A (0.45) HTR1AHTR2ATMEM97MEN1KMT2A
Fumaric Acid SCHEMBL5250591 0.93 HTR1A (0.45) HTR1AHTR2ATMEM97MEN1KMT2A
SCHEMBL5252123 0.87 HTR1A (0.48) HTR1AHTR2ATMEM97SIGMAR1ADAM17
SCHEMBL5247410 0.87 HTR1A (0.48) HTR1AHTR2ATMEM97ADAM17DRD2
SCHEMBL5251472 0.87 HTR1A (0.48) HTR1AHTR2ATMEM97ADAM17LTA4H
SCHEMBL5658151 0.87 HTR2A (0.48) HTR1AHTR2ATMEM97SIGMAR1DRD2
Hydrochloric Acid SCHEMBL5251884 0.86 HTR1A (0.47) HTR1AHTR2ATMEM97ADAM17LTA4H
Hydrochloric Acid SCHEMBL5248964 0.86 HTR1A (0.47) HTR1AHTR2ATMEM97ADAM17DRD2
SCHEMBL5255035 0.84 HTR2A (0.64) HTR1AHTR2ATMEM97SIGMAR1LTA4H
Fumaric Acid SCHEMBL5247711 0.84 HTR1A (0.49) HTR1AHTR2ATMEM97ADAM17HRH3

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 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.