SCHEMBL5250853

SCHEMBL5250853

O=C(CN1CCC(CN2CCc3ccccc3C2=O)CC1)c1ccc(F)cc1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.83
HTR1A P08908 1/20 0.83
TMEM97 Q5BJF2 1/20 0.83
HTR7 P34969 2/20 0.54
HTR2C P28335 8/20 0.49
DRD2 P14416 3/20 0.49
KCNH2 Q12809 1/20 0.49
HTR2B P41595 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
ACHE P22303 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
GRM5 P41594 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
Hydrochloric Acid SCHEMBL5250087 0.99 HTR2A (0.81) HTR2AHTR1ATMEM97HTR7HTR2C
Roluperidone SCHEMBL5252391 0.91 HTR2A (1.00) HTR2AHTR1ATMEM97HTR7HTR2C
Roluperidone SCHEMBL5248131 0.90 HTR2A (0.98) HTR2AHTR1ATMEM97HTR7HTR2C
Roluperidone SCHEMBL5253902 0.89 HTR2A (0.96) HTR2AHTR1ATMEM97HTR7HTR2C
Roluperidone SCHEMBL31167445 0.89 HTR2A (0.96) HTR2AHTR1ATMEM97HTR7HTR2C
SCHEMBL6847393 0.82 HTR2A (0.71) HTR2AHTR1ATMEM97HTR2CDRD2
SCHEMBL5254146 0.82 HTR2A (0.81) HTR2AHTR1ATMEM97HTR7HTR2C
SCHEMBL5250232 0.81 HTR1A (0.84) HTR2AHTR1ATMEM97ACHEKDM4E
Hydrochloric Acid SCHEMBL5248496 0.81 HTR2A (0.79) HTR2AHTR1ATMEM97HTR7HTR2C
SCHEMBL16364824 0.81 HTR2A (0.75) HTR2AHTR1ATMEM97HTR2CDRD2

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 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.