SCHEMBL2347633

SCHEMBL2347633

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3cccnc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.54
GPR119 Q8TDV5 3/20 0.51
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
HPGDS O60760 1/20 0.48
HTR1F P30939 3/20 0.47
HTR1A P08908 2/20 0.47
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.46
BRD4 O60885 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CREBBP Q92793 1/20 0.46
CCR2 P41597 2/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
PARP1 P09874 1/20 0.45

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
SCHEMBL3203565 0.94 HPGDS (0.49) PDE10AGPR119JAK2JAK1TYK2
SCHEMBL31295138 0.94 HPGDS (0.49) PDE10AGPR119JAK2JAK1TYK2
SCHEMBL31530773 0.93 HPGDS (0.48) PDE10AGPR119JAK2JAK1TYK2
SCHEMBL21714498 0.88 PDE10A (0.44) PDE10AGPR119JAK2JAK1TYK2
SCHEMBL7011824 0.84 HTR1F (0.63) JAK2JAK1TYK2JAK3HTR1F
SCHEMBL27810227 0.83 HTR1F (0.49) HTR1FHTR1AHTR1DHTR1BPOLB
SCHEMBL19297242 0.83 JAK2 (0.52) PDE10AGPR119JAK2JAK1TYK2
SCHEMBL29907236 0.83 JAK2 (0.52) PDE10AGPR119JAK2JAK1TYK2
SCHEMBL17837885 0.83 GPR119 (0.50) GPR119JAK2JAK1TYK2JAK3
SCHEMBL2267177 0.83 HSD11B1 (0.63) GPR119JAK2JAK1TYK2JAK3

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-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
CN-101952286-A Bicyclic derivatives for use in the treatment of androgen receptor associated conditions ASTRAZENECA AB 2011-01-19 CN disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
EP-2184990-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2010-05-19 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-03-12 US disclosed
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-03-12 US disclosed
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-03-12 US disclosed
WO-2009023844-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-19 WO disclosed
WO-2009023844-A2 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-02-19 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 (2 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-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3A, HTR3B PDE10A 969/4885GPR119 101/4885JAK2 1281/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 PDE10A 1443/4885GPR119 141/4885JAK2 1571/4885

“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.