SCHEMBL5657524

SCHEMBL5657524

COc1ccccc1CCN1CCC(CN2Cc3cc(C#N)ccc3C2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
HTR1A P08908 1/20 0.45
SLC6A4 P31645 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KCNH2 Q12809 2/20 0.44
GRM5 P41594 1/20 0.44
HRH3 Q9Y5N1 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 SCHEMBL5660636 0.94 DRD2 (0.46) DRD2DRD4DRD3HTR1ASLC6A4
Fumaric Acid SCHEMBL5660640 0.94 DRD2 (0.46) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL5660014 0.87 HTR1A (0.57) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL5660583 0.86 HTR1A (0.52) HTR1ASLC6A4SIGMAR1KCNH2HRH3
Hydrochloric Acid SCHEMBL5660407 0.86 HTR1A (0.56) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL5655955 0.86 HTR2C (0.47) HTR1ASLC6A4SIGMAR1KCNH2HRH3
SCHEMBL5661060 0.86 HTR1A (0.53) DRD2DRD3HTR1ASLC6A4SIGMAR1
Hydrochloric Acid SCHEMBL5660142 0.86 HTR1A (0.51) HTR1ASLC6A4SIGMAR1KCNH2HRH3
Hydrochloric Acid SCHEMBL5658805 0.85 KCNH2 (0.54) DRD2DRD3HTR1ASIGMAR1KCNH2
Fumaric Acid SCHEMBL5659182 0.81 HTR1A (0.48) DRD2DRD4DRD3HTR1ASLC6A4

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 DRD2 402/4885DRD4 498/4885DRD3 395/4885

“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.