SCHEMBL4334126

SCHEMBL4334126

COC(C)CN1Cc2cc(-c3cccnc3)cc(C)c2C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.45
ALDH1A1 P00352 2/20 0.38
CYP11B1 P15538 9/20 0.38
CYP11B2 P19099 6/20 0.38
CYP1A2 P05177 4/20 0.38
ADAM17 P78536 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SLC2A1 P11166 1/20 0.36
MAP3K5 Q99683 1/20 0.35
TNIK Q9UKE5 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL4976043 0.90 PIK3CG (0.44) PIK3CGCYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL4324289 0.89 PIK3CG (0.47) PIK3CGCYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL8237562 0.85 PIK3CG (0.44) PIK3CGCYP11B1CYP11B2CYP1A2CYP17A1
SCHEMBL8231100 0.83 PIK3CG (0.46) PIK3CGALDH1A1CYP11B1CYP11B2CYP1A2
SCHEMBL4323296 0.83 ALDH1A1 (0.52) PIK3CGALDH1A1CYP11B1CYP11B2CYP1A2
SCHEMBL4340783 0.81 HTT (0.47) PIK3CGALDH1A1CYP11B1CYP11B2CYP1A2
SCHEMBL4329589 0.81 PIK3CG (0.45) PIK3CGALDH1A1CYP11B1CYP11B2CYP1A2
SCHEMBL4331807 0.80 PIK3CG (0.58) PIK3CGCYP11B1CYP11B2CYP1A2ADAM17
SCHEMBL2027087 0.80 DHPS (0.55) PIK3CGALDH1A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL2019134 0.80 PIK3CG (0.47) PIK3CGCYP11B1CYP11B2CYP1A2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149505-A1 Metabotropic Glutamate Receptor-Potentiating Isoindolones ASTRAZENECA AB (SE) 2009-06-11 US claimed
EP-1986998-A1 METABOTROPIC GLUTAMATE RECEPTOR-POTENTIATING SOINDOLONES AstraZeneca AB (SE) 2008-11-05 EP claimed
WO-2007095024-A1 METABOTROPIC GLUTAMATE RECEPTOR-POTENTIATING ΓSOINDOLONES ASTRAZENECA AB (SE) 2007-08-23 WO claimed
US-20090149505-A1 Metabotropic Glutamate Receptor-Potentiating Isoindolones ASTRAZENECA AB (SE) 2009-06-11 US disclosed
US-20090149505-A1 Metabotropic Glutamate Receptor-Potentiating Isoindolones ASTRAZENECA AB (SE) 2009-06-11 US disclosed
US-20090149505-A1 Metabotropic Glutamate Receptor-Potentiating Isoindolones ASTRAZENECA AB (SE) 2009-06-11 US disclosed
EP-1986998-A1 METABOTROPIC GLUTAMATE RECEPTOR-POTENTIATING SOINDOLONES AstraZeneca AB (SE) 2008-11-05 EP disclosed
WO-2007095024-A1 METABOTROPIC GLUTAMATE RECEPTOR-POTENTIATING ΓSOINDOLONES ASTRAZENECA AB (SE) 2007-08-23 WO disclosed
WO-2007095024-A1 METABOTROPIC GLUTAMATE RECEPTOR-POTENTIATING ΓSOINDOLONES ASTRAZENECA AB (SE) 2007-08-23 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-20090149505-A1 Metabotropic Glutamate Receptor-Potentiating Isoindolones GRM1, GRIN1, GRM3 PIK3CG 1976/4885ALDH1A1 2048/4885CYP11B1 1126/4885

“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.