SCHEMBL430401

SCHEMBL430401

CC(C)(C)[Si](C)(C)Oc1cccc2c1CCC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR1A P08908 1/20 0.53
OPRK1 P41145 1/20 0.53
NPC1 O15118 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL97840 0.77 ADRB2 (0.51) ADRB2ADRB1HTR1AOPRK1NPC1
SCHEMBL30636067 0.77 ADRB2 (0.51) ADRB2ADRB1HTR1AOPRK1NPC1
SCHEMBL4893063 0.77 SMYD3 (0.38) ADRB2ADRB1HTR1AOPRK1
SCHEMBL7737243 0.76 PARP1 (0.35) ADRB2ADRB1HTR1AOPRK1
SCHEMBL29993176 0.75 ADRB2 (0.43) ADRB2ADRB1HTR1A
SCHEMBL1660912 0.75 ADRB2 (0.43) ADRB2ADRB1HTR1A
SCHEMBL1764193 0.74 ADRB2 (0.57) ADRB2ADRB1HTR1AOPRK1NPC1
SCHEMBL10569911 0.72 ADRB2 (0.50) ADRB2ADRB1HTR1AOPRK1NPC1
SCHEMBL11169736 0.72 ADRB1 (0.47) ADRB2ADRB1HTR1AOPRK1NPC1
SCHEMBL10577760 0.72 ADRB1 (0.46) ADRB2ADRB1HTR1AOPRK1NPC1

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 ADRB2 252/4885ADRB1 146/4885HTR1A 7/4885

“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.