SCHEMBL5236520

SCHEMBL5236520

CC(C)(C)OC(=O)N1CCCN(c2nccnc2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
PDE10A Q9Y233 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CKS1B P61024 2/20 0.50
SKP1 P63208 2/20 0.50
SKP2 Q13309 2/20 0.50
GPR119 Q8TDV5 4/20 0.45
TRPA1 O75762 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
KIT P10721 2/20 0.43
MAPT P10636 3/20 0.43
GRIA1 P42261 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GBA1 P04062 1/20 0.42

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
SCHEMBL124268 0.95 POLB (0.60) POLBPDE10AMEN1KMT2ACKS1B
SCHEMBL30592010 0.95 POLB (0.60) POLBPDE10AMEN1KMT2ACKS1B
SCHEMBL122648 0.85 PDE10A (0.53) POLBPDE10ACKS1BSKP1SKP2
SCHEMBL16707799 0.83 POLB (0.56) POLBPDE10AMEN1KMT2ACKS1B
SCHEMBL5239263 0.81 CNR2 (0.39) PDE10ATRPA1TRPV1GRIA1
SCHEMBL2385404 0.81 MEN1 (0.50) POLBPDE10AMEN1KMT2ACKS1B
SCHEMBL23560764 0.80 GPR119 (0.50) POLBPDE10AMEN1KMT2ACKS1B
SCHEMBL2385593 0.80 GPR119 (0.50) POLBPDE10ACKS1BSKP1SKP2
SCHEMBL5242132 0.80 PDE10A (0.49) POLBPDE10AMEN1KMT2ACKS1B
SCHEMBL7061217 0.79 GPR119 (0.49) POLBPDE10ACKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 US disclosed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP disclosed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 EP disclosed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 US disclosed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 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-20040063693-A1 Compounds HTR1A, HTR1B, HTR2C POLB 3400/4885PDE10A 877/4885MEN1 443/4885

“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.