SCHEMBL5658837

SCHEMBL5658837

O=C1c2ccccc2CN1CC1CCN(CCc2ccc3ccccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.52
HTR1A P08908 3/20 0.52
HTR2A P28223 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
HRH3 Q9Y5N1 3/20 0.50
SLC6A4 P31645 2/20 0.47
ALDH1A1 P00352 1/20 0.45
PARP1 P09874 1/20 0.42
DRD2 P14416 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
HTR7 P34969 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD4 P21917 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 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 SCHEMBL5658505 0.92 HTR1A (0.50) ACHEHTR1AHTR2ATMEM97HRH3
Fumaric Acid SCHEMBL5658504 0.92 HTR1A (0.50) ACHEHTR1AHTR2ATMEM97HRH3
SCHEMBL5660124 0.85 HTR2A (0.67) ACHEHTR1AHTR2ATMEM97HTR7
Hydrochloric Acid SCHEMBL5657727 0.84 HTR2A (0.66) ACHEHTR1AHTR2ATMEM97HTR7
SCHEMBL5659084 0.81 ACHE (0.62) ACHEHTR1AHTR2ATMEM97PARP1
Hydrochloric Acid SCHEMBL5658146 0.81 ACHE (0.61) ACHEHTR1AHTR2ATMEM97PARP1
SCHEMBL5658279 0.79 DRD2 (0.64) ACHEHTR1AHTR2ATMEM97PARP1
SCHEMBL5659080 0.79 DRD3 (0.60) ACHEHTR1AHTR2ATMEM97PARP1
SCHEMBL5660496 0.79 HTR1A (0.62) ACHEHTR1AHTR2ATMEM97PARP1
SCHEMBL5251937 0.79 HTR1A (0.74) ACHEHTR1AHTR2ATMEM97ALDH1A1

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 ACHE 1767/4885HTR1A 79/4885HTR2A 153/4885

“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.