SCHEMBL429715

SCHEMBL429715

CC(C)(C)C1CN(c2cccc3nc(C(F)(F)F)ccc23)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.41
ADRB2 P07550 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
HCRTR2 O43614 1/20 0.36
SLC6A7 Q99884 1/20 0.36
NR1H3 Q13133 2/20 0.35
OPRK1 P41145 1/20 0.35
NR1H2 P55055 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IGF1R P08069 1/20 0.35
HTR1A P08908 3/20 0.35
HTR1D P28221 3/20 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
SCHEMBL7845835 0.82 SLC6A7 (0.43) ADRB2DRD2DRD3HCRTR2SLC6A7
SCHEMBL4558300 0.81 SLC6A9 (0.44) DRD2DRD3DPP4SLC6A7OPRK1
SCHEMBL4527918 0.79 ADRB2 (0.46) ADRB2DRD2DRD3DPP4SLC6A7
SCHEMBL429714 0.75 GBA1 (0.48) MAPTMAPK1
SCHEMBL6971671 0.74 HTR2A (0.45) MAPTMAPK1SLC6A7KMT2AHTR1A
SCHEMBL30881604 0.74 ADRA2C (0.45) MAPTSMN1; SMN2SLC6A7MEN1KMT2A
SCHEMBL17491559 0.74 ADRA2C (0.45) MAPTSMN1; SMN2SLC6A7MEN1KMT2A
SCHEMBL5549046 0.73 KDM4E (0.35) MAPTSMN1; SMN2DRD2DRD3SLC6A7
SCHEMBL4009517 0.73 POLB (0.43) MAPTMAPK1SMN1; SMN2SLC6A7MEN1
SCHEMBL2327343 0.73 RBP4 (0.37) DRD2SLC6A7MEN1KMT2A

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 3 patents. 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
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE MAPT 1090/4885MAPK1 3976/4885ADRB2 252/4885

“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.