SCHEMBL5658020

SCHEMBL5658020

O=C1c2cccc(F)c2CN1CC1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.49
HTR1A P08908 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
HTR2C P28335 2/20 0.48
DRD2 P14416 1/20 0.48
HTR2B P41595 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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 SCHEMBL5253107 0.92 HTR2A (0.48) HTR2AHTR1ATMEM97HTR2CDRD2
Fumaric Acid SCHEMBL5253104 0.92 HTR2A (0.48) HTR2AHTR1ATMEM97HTR2CDRD2
SCHEMBL5660124 0.85 HTR2A (0.67) HTR2AHTR1ATMEM97HTR7ADRA1D
SCHEMBL5249541 0.85 HTR1A (0.47) HTR2AHTR1ATMEM97DRD2SIGMAR1
Hydrochloric Acid SCHEMBL5657727 0.84 HTR2A (0.66) HTR2AHTR1ATMEM97HTR7ADRA1D
SCHEMBL5249167 0.81 HTR2A (0.74) HTR2AHTR1ATMEM97HTR2CDRD2
Hydrochloric Acid SCHEMBL5249338 0.81 HTR2A (0.73) HTR2AHTR1ATMEM97HTR2CDRD2
SCHEMBL5250605 0.81 HTR1A (0.49) HTR2AHTR1ATMEM97
SCHEMBL5250603 0.81 HTR1A (0.49) HTR2AHTR1ATMEM97
Hydrochloric Acid SCHEMBL5256166 0.80 HTR1A (0.48) HTR2AHTR1ATMEM97

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 HTR2A 153/4885HTR1A 79/4885TMEM97 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.