SCHEMBL4950665

SCHEMBL4950665

COC(=O)CN1CCC(c2cccc(O)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.63
DRD2 P14416 11/20 0.61
DRD3 P35462 11/20 0.56
HTR1A P08908 7/20 0.54
DRD1 P21728 7/20 0.54
DRD5 P21918 7/20 0.54
SIGMAR1 Q99720 3/20 0.48
NFKB1 P19838 1/20 0.48
PRCP P42785 1/20 0.48
EBP Q15125 1/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
LCK P06239 1/20 0.48
SRC P12931 1/20 0.48
ABL2 P42684 1/20 0.48

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
SCHEMBL4949320 0.86 DRD2 (0.64) DRD2ABL1EGFRSRCABL2
SCHEMBL26986820 0.85 SLC18A3 (0.58) DRD4DRD2DRD3SIGMAR1PRCP
Bromide SCHEMBL4951325 0.82 DRD2 (0.64) DRD4DRD2DRD3HTR1ADRD1
SCHEMBL4819670 0.79 DRD2 (0.78) DRD4DRD2DRD3HTR1ADRD1
SCHEMBL5947301 0.77 DRD2 (0.61) DRD2
SCHEMBL29914667 0.76 DRD2 (1.00) DRD4DRD2DRD3HTR1ADRD1
SCHEMBL3454031 0.76 DRD2 (1.00) DRD4DRD2DRD3HTR1ADRD1
SCHEMBL7482001 0.75 QDPR (0.66) DRD4DRD2DRD3HTR1ADRD1
SCHEMBL8300543 0.75 DRD3 (0.78) DRD4DRD2DRD3HTR1ADRD1
SCHEMBL4827157 0.74 DRD2 (0.87) DRD4DRD2DRD3HTR1ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA DRD4 3396/4885DRD2 3504/4885DRD3 2584/4885

“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.