SCHEMBL2448474

SCHEMBL2448474

Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1Br

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.56
CKS1B P61024 2/20 0.52
SKP1 P63208 2/20 0.52
SKP2 Q13309 2/20 0.52
GPR119 Q8TDV5 7/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PRMT5 O14744 1/20 0.46
ACHE P22303 1/20 0.45
RET P07949 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SUV39H2 Q9H5I1 1/20 0.44

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
SCHEMBL31130022 0.87 MAP4K4 (0.65) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL12328836 0.86 MAP4K4 (0.57) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL17310233 0.85 MAP4K4 (0.54) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL22118550 0.85 MAP4K4 (0.56) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL29435004 0.85 MAP4K4 (0.56) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL22907259 0.81 MAP4K4 (0.53) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL27027530 0.81 MAP4K4 (0.55) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL15173541 0.81 MAP4K4 (0.64) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL461584 0.81 CKS1B (0.62) MAP4K4CKS1BSKP1SKP2GPR119
SCHEMBL31129803 0.81 ALDH1A1 (0.57) MAP4K4CKS1BSKP1SKP2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108937-B2 Positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-08-18 US disclosed
US-9108937-B2 Positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-08-18 US disclosed
US-9108937-B2 Positive allosteric modulators of mGluR2 MERCK SHARP & DOHME CORP. (US) 2015-08-18 US disclosed
EP-2542083-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME (US) 2015-05-06 EP disclosed
EP-2542083-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME (US) 2015-05-06 EP disclosed
US-20130158002-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158002-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158002-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
EP-2542083-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-01-09 EP disclosed
WO-2011109277-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
WO-2011109277-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2011-09-09 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-20130158002-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 GRM2, GRM1, GRM3 MAP4K4 2290/4885CKS1B 2484/4885SKP1 3414/4885

“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.