SCHEMBL430109

SCHEMBL430109

C=CC(C)c1cccc2c1OCC(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
MMP12 P39900 1/20 0.36
CREBBP Q92793 3/20 0.36
BRD4 O60885 2/20 0.36
ADRB2 P07550 10/20 0.35
ADRB1 P08588 5/20 0.35
PARP1 P09874 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
SCHEMBL4100740 0.84 HTR1A (0.45) HTR1ADRD2HTR2ASMYD3MMP12
SCHEMBL19697171 0.81 HTR1A (0.41) HTR1ADRD2HTR2ASMYD3MMP12
SCHEMBL19697172 0.79 HTR1A (0.42) HTR1ADRD2HTR2ASMYD3MMP12
SCHEMBL31364658 0.76 SMYD3 (0.43) HTR1ADRD2SMYD3MMP12CREBBP
SCHEMBL17476273 0.73 SMYD3 (0.44) SMYD3ADRB2ADRB1
SCHEMBL17476275 0.73 SMYD3 (0.44) SMYD3ADRB2ADRB1
SCHEMBL17476311 0.73 SMYD3 (0.44) SMYD3ADRB2ADRB1
SCHEMBL22521052 0.72 SMYD3 (0.45) HTR1ADRD2HTR2ASMYD3MMP12
SCHEMBL1851941 0.72 CREBBP (0.58) HTR1ADRD2SMYD3MMP12CREBBP
Hydrochloric Acid SCHEMBL17476307 0.72 ADRB2 (0.46) SMYD3ADRB2ADRB1

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 HTR1A 7/4885DRD2 5/4885HTR2A 54/4885

“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.