SCHEMBL5659080

SCHEMBL5659080

O=C1c2ccccc2CN1CCCN1CCC(CN2Cc3ccccc3C2=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.60
DRD2 P14416 4/20 0.60
DRD5 P21918 4/20 0.60
HTR1A P08908 2/20 0.60
ACHE P22303 1/20 0.60
HTR2A P28223 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
HTR7 P34969 2/20 0.59
PARP1 P09874 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
SIRT1 Q96EB6 1/20 0.49

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 SCHEMBL5658186 0.99 DRD3 (0.59) DRD3DRD2DRD5HTR1AACHE
SCHEMBL5658279 0.97 DRD2 (0.64) DRD3DRD2DRD5HTR1AACHE
Hydrochloric Acid SCHEMBL5656043 0.96 DRD2 (0.62) DRD3DRD2DRD5HTR1AACHE
SCHEMBL5659084 0.92 ACHE (0.62) DRD3DRD2DRD5HTR1AACHE
Hydrochloric Acid SCHEMBL5658146 0.91 ACHE (0.61) DRD3DRD2DRD5HTR1AACHE
SCHEMBL5660496 0.87 HTR1A (0.62) DRD3DRD2DRD5HTR1AACHE
SCHEMBL5655963 0.85 CHRM1 (0.67) DRD3DRD2
SCHEMBL5660624 0.84 HTR1A (0.49) DRD3DRD2DRD5HTR1AACHE
SCHEMBL19028093 0.83 HTR1A (0.58) DRD3DRD2DRD5HTR1AACHE
SCHEMBL29802804 0.82 DRD3 (0.67) DRD3DRD2DRD5HTR1AHTR7

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 2 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

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 DRD3 395/4885DRD2 402/4885DRD5 1327/4885

“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.