SCHEMBL427037

SCHEMBL427037

CC(C)(C)OC(=O)N1CCC(F)(c2cccc3ncccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
DTYMK P23919 1/20 0.45
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
GPR119 Q8TDV5 4/20 0.43
NAMPT P43490 1/20 0.43
GBA1 P04062 2/20 0.43
CYP11B2 P19099 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GRM5 P41594 1/20 0.40
HCRTR2 O43614 1/20 0.40
ACHE P22303 1/20 0.39
TACR1 P25103 1/20 0.39
PDK2 Q15119 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL22635720 0.92 OPRD1 (0.46) POLBDTYMKOPRD1OPRK1GPR119
SCHEMBL429502 0.88 POLB (0.47) POLBDTYMKOPRD1OPRK1GPR119
SCHEMBL21064298 0.80 OPRD1 (0.47) POLBDTYMKOPRD1OPRK1GPR119
SCHEMBL2224318 0.79 GPR119 (0.53) POLBDTYMKOPRD1OPRK1GPR119
SCHEMBL5473436 0.79 GPR119 (0.52) POLBDTYMKOPRD1OPRK1GPR119
SCHEMBL5369080 0.78 POLB (0.54) POLBDTYMKGPR119GBA1ACHE
SCHEMBL5479635 0.78 POLB (0.51) POLBDTYMKOPRD1OPRK1GPR119
SCHEMBL3792634 0.77 TRPV1 (0.54) POLBDTYMKOPRD1OPRK1GPR119
SCHEMBL1513503 0.77 PDK2 (0.47) OPRD1OPRK1GPR119CYP11B2HDAC1
SCHEMBL12178960 0.76 TRPV1 (0.57) POLBDTYMKOPRD1OPRK1GPR119

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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
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 POLB 1588/4885DTYMK 4132/4885OPRD1 22/4885

“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.