SCHEMBL3247787

SCHEMBL3247787

COC(=O)c1cn(C2CCN(C(=O)O)CC2)c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 7/20 0.47
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
RAMP1 O60894 2/20 0.34
CYP1A2 P05177 1/20 0.34
HSD11B1 P28845 1/20 0.34
TNKS O95271 1/20 0.34
CCR5 P51681 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4222755 0.86 CHRM2 (0.40) CALCRLDRD2DRD4DRD3TNKS
SCHEMBL3244599 0.84 HCAR1 (0.48) CALCRLKDM4E
SCHEMBL3250125 0.82 DRD2 (0.37) CALCRLDRD2DRD4DRD3RAMP1
SCHEMBL3248282 0.73 HCAR1 (0.49) CALCRLKDM4E
SCHEMBL3246969 0.73 CALCRL (0.45) CALCRLDRD2DRD4DRD3RAMP1
SCHEMBL2099353 0.72 DRD2 (0.65) CALCRLDRD2DRD4DRD3RAMP1
SCHEMBL3249030 0.72 DRD2 (0.52) CALCRLDRD2DRD4DRD3RAMP1
SCHEMBL22119700 0.71 SLC28A1 (0.39) CALCRLDRD2DRD4DRD3RAMP1
SCHEMBL3243873 0.70 HCAR1 (0.48) KDM4E
SCHEMBL8334 0.67 ALDH1A1 (0.46) CALCRLDRD2DRD4DRD3RAMP1

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
EP-1856100-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-05-05 EP disclosed
US-7632832-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-15 US disclosed
US-20080125413-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-29 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-20080125413-A1 Cgrp Receptor Antagonists CALCRL, NPY1R, CCKBR CALCRL 1/4885DRD2 600/4885DRD4 1215/4885

“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.