SCHEMBL5248236

SCHEMBL5248236

O=C1c2ccccc2CN1CC1CCN(CCOc2ccccc2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.58
HTR2A P28223 4/20 0.58
TMEM97 Q5BJF2 1/20 0.58
ACHE P22303 1/20 0.48
HTR7 P34969 6/20 0.44
DRD2 P14416 5/20 0.44
HTR6 P50406 2/20 0.44
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2C P28335 1/20 0.43
NPC1 O15118 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 SCHEMBL5252782 0.93 HTR1A (0.56) HTR1AHTR2ATMEM97ACHEHTR7
Fumaric Acid SCHEMBL5252779 0.93 HTR1A (0.56) HTR1AHTR2ATMEM97ACHEHTR7
SCHEMBL5249979 0.88 KDM4E (0.54) HTR1AHTR2ATMEM97ACHEHTR7
SCHEMBL5251963 0.88 HTR2C (0.54) HTR1AHTR2ATMEM97ACHEHTR7
SCHEMBL5255035 0.88 HTR2A (0.64) HTR1AHTR2ATMEM97ACHEHTR7
Hydrochloric Acid SCHEMBL5250896 0.87 HTR2A (0.63) HTR1AHTR2ATMEM97ACHEHTR7
SCHEMBL5249839 0.85 ACHE (0.55) HTR1AHTR2ATMEM97ACHEHTR7
SCHEMBL5251606 0.83 HTR1A (0.56) HTR1AHTR2ATMEM97ACHEHTR7
SCHEMBL5252657 0.82 HTR2A (0.63) HTR1AHTR2ATMEM97ACHEHTR7
Hydrochloric Acid SCHEMBL5249764 0.82 HTR2A (0.62) HTR1AHTR2ATMEM97ACHEHTR7

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.