SCHEMBL4531399

SCHEMBL4531399

COc1cccc(N2CCN(C(=O)O)C(C(C)(C)C)C2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.51
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
DRD3 P35462 2/20 0.46
ACACB O00763 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
HTR2C P28335 1/20 0.41
ALOX5 P09917 2/20 0.40
GRM1 Q13255 2/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
SLC6A7 Q99884 1/20 0.38
PHGDH O43175 1/20 0.38
LCAT P04180 1/20 0.37
C5AR1 P21730 1/20 0.37
OGA O60502 1/20 0.37
TTR P02766 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4573088 0.84 CHRM4 (0.58) CHRM4HTR1AHTR2ADRD3ACACB
SCHEMBL4524209 0.84 HTR3E (0.47) HTR1AHTR2ADRD3ACACBHCRTR1
SCHEMBL20140757 0.78 GRIN2B (0.44) HTR1AHTR2ADRD3ACACBHCRTR1
SCHEMBL4573366 0.77 MAP4K4 (0.60) CHRM4HTR1AHTR2ADRD3ACACB
SCHEMBL8116230 0.77 MAP4K4 (0.60) CHRM4HTR1AHTR2ADRD3ACACB
SCHEMBL20142336 0.77 GRM1 (0.47) DRD3ACACBALOX5GRM1SLC6A7
SCHEMBL21194361 0.76 GRM1 (0.36) CHRM4GRM1SLC6A7TTR
SCHEMBL15006788 0.76 ALOX5 (0.41) CHRM4HTR1AHTR2ADRD3ACACB
SCHEMBL2760636 0.76 DRD2 (0.51) HTR1ADRD3KDM4EALDH1A1TSHR
SCHEMBL29252729 0.76 AGTR2 (0.48) CHRM4DRD3SLC6A7ALDH1A1TSHR

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 CHRM4 271/4885HTR1A 15/4885HTR2A 2/4885

“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.