SCHEMBL429072

SCHEMBL429072

C=CCc1cccc2c1CCc1nnnn1-2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.35
P2RX7 Q99572 3/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL430232 0.86 KCNJ1 (0.38) KCNJ1P2RX7KMT2AALDH1A1HPGD
SCHEMBL425805 0.76 HTR1A (0.48) P2RX7GABRA1GABRB2KMT2AMEN1
SCHEMBL28455996 0.69 TSHR (0.42) P2RX7GABRA1GABRB2L3MBTL1ALDH1A1
SCHEMBL428067 0.68 TP53 (0.43) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL17442935 0.66 KCNJ1 (0.54) KCNJ1P2RX7KMT2AMEN1L3MBTL1
SCHEMBL429130 0.64 HTR1A (0.48) P2RX7CYP1A2HTR1AHTR1DHTR1B
SCHEMBL17444501 0.61 KCNJ1 (0.42) KCNJ1
SCHEMBL9455879 0.61 GABRA1 (0.49) GABRA1GABRB2ALDH1A1HPGDCYP1A2
SCHEMBL5616784 0.60 KCNMA1 (0.54) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29638030 0.59 GABRA1 (0.36) GABRA1GABRB2KMT2AMEN1L3MBTL1

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 KCNJ1 2283/4885P2RX7 931/4885GABRA1 19/4885

“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.