SCHEMBL1967744

SCHEMBL1967744

CC(C)(C)OC(=O)N1CCN(c2ccnc(Cl)c2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
ACHE P22303 2/20 0.48
GPR119 Q8TDV5 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IDE P14735 2/20 0.46
MAP4K4 O95819 1/20 0.46
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
PBRM1 Q86U86 1/20 0.45
STS P08842 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
SCHEMBL16707799 0.95 POLB (0.56) POLBACHEGPR119MEN1KMT2A
SCHEMBL19133655 0.87 POLB (0.58) POLBACHEGPR119MEN1KMT2A
SCHEMBL123592 0.84 POLB (0.71) POLBACHEGPR119MEN1KMT2A
SCHEMBL16707801 0.84 MEN1 (0.52) POLBACHEGPR119MEN1KMT2A
SCHEMBL12517588 0.83 LMNA (0.56) POLBACHEGPR119MEN1KMT2A
SCHEMBL31652116 0.82 POLB (0.54) POLBACHEGPR119MEN1KMT2A
SCHEMBL30592010 0.81 POLB (0.60) POLBACHEGPR119MEN1KMT2A
SCHEMBL124268 0.81 POLB (0.60) POLBACHEGPR119MEN1KMT2A
SCHEMBL21226525 0.81 POLB (0.54) POLBACHEGPR119MEN1KMT2A
SCHEMBL1907903 0.80 GPR119 (0.55) POLBGPR119MEN1KMT2ACKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778183-B Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-10 CN disclosed
CN-112778183-A Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2021-05-11 CN disclosed
EP-2334644-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
WO-2010034648-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO disclosed
WO-2010034648-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO disclosed
US-20100075979-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US disclosed
US-20100075979-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US disclosed
US-20100075979-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2010-03-25 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-20100075979-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, DRD2, VDR POLB 3954/4885ACHE 364/4885GPR119 135/4885

“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.