SCHEMBL429243

SCHEMBL429243

Cc1ccc2c(C3=CC(C)N(C(=O)OC(C)(C)C)CC3)cccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.38
GRM5 P41594 2/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PDK4 Q16654 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
UCHL1 P09936 2/20 0.35
HSD11B1 P28845 1/20 0.35
DRD3 P35462 2/20 0.34
GPR119 Q8TDV5 2/20 0.34
HTR1A P08908 3/20 0.34
HTR1D P28221 3/20 0.34
HTR1B P28222 3/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVR1B P36896 1/20 0.34

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
SCHEMBL10212116 0.81 SSTR4 (0.39) SSTR4GRM5PARP1TNKS2PARP2
SCHEMBL4170674 0.80 PDK4 (0.59) GRM5PDK4
SCHEMBL30254699 0.74 UCHL1 (0.39) GRM5PARP1PDK4MEN1KMT2A
SCHEMBL428078 0.72 GRM5 (0.42) SSTR4GRM5MEN1KMT2AHSD11B1
SCHEMBL20111756 0.71 HTR2A (0.46) HSD11B1HTR1APIM1ACVR1HTR2A
SCHEMBL6311628 0.71 MAPT (0.37) GRM5
SCHEMBL16272011 0.71 GPR119 (0.45) GRM5GPR119
SCHEMBL16271998 0.70 GPR119 (0.47) GRM5UCHL1GPR119GBA1
SCHEMBL25252893 0.70 MAP4K4 (0.36) SSTR4GRM5PDK4MEN1KMT2A
SCHEMBL430227 0.70 CYP2C9 (0.52) GRM5MEN1KMT2ADRD3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE SSTR4 3019/4885GRM5 300/4885PARP1 1100/4885

“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.