SCHEMBL4524209

SCHEMBL4524209

Cc1cccc(N2CCN(C(=O)O)C(C(C)(C)C)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
GRIN2B Q13224 4/20 0.45
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRM1 Q13255 2/20 0.42
ACACB O00763 2/20 0.40
PARP1 P09874 1/20 0.40
SLC6A7 Q99884 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
TRPA1 O75762 1/20 0.39
TGM2 P21980 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL20140757 0.93 GRIN2B (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4531399 0.84 CHRM4 (0.51) HCRTR1HCRTR2HTR1AHTR2ADRD3
SCHEMBL4009517 0.80 POLB (0.43) HTR1AHTR2APARP1SLC6A7KDM4E
SCHEMBL20142336 0.80 GRM1 (0.47) DRD3GRM1ACACBSLC6A7
SCHEMBL21194361 0.79 GRM1 (0.36) GRIN2BGRM1SLC6A7
SCHEMBL29252729 0.78 AGTR2 (0.48) DRD3SLC6A7
SCHEMBL23922806 0.77 SMN1; SMN2 (0.48) KDM4E
SCHEMBL20339488 0.77 HTR3E (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4558300 0.76 SLC6A9 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22638185 0.75 ME2 (0.51) GRM1SLC6A7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 HTR3E 9/4885HTR3B 6/4885HTR3A 5/4885

“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.