SCHEMBL430954

SCHEMBL430954

C=CCc1cccc2c1CCC(=S)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HK1 P19367 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
GALK1 P51570 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
HPGD P15428 2/20 0.32
ALOX12 P18054 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL426989 0.81 NPC1 (0.42) GABRA1GABRB2KDM4ENPC1MAPK1
SCHEMBL17498090 0.76 GABRA1 (0.41) GABRA1GABRB2ADRA2BADRA2CADRA2A
SCHEMBL429081 0.73 GABRA1 (0.36) GABRA1GABRB2KDM4EMEN1NPC1
SCHEMBL5312857 0.69 GABRA1 (0.31) GABRA1GABRB2KDM4EMEN1MAPT
SCHEMBL427050 0.67 NPC1 (0.43) KDM4ENPC1MAPTMAPK1BLM
SCHEMBL9455879 0.66 GABRA1 (0.49) GABRA1GABRB2KDM4ENPC1MAPT
SCHEMBL2332853 0.65 HTR2C (0.44) GABRA1GABRB2ADRA2BADRA2CADRA2A
SCHEMBL9502970 0.64 GABRA1 (0.42) GABRA1GABRB2KDM4EMEN1MAPT
SCHEMBL9938989 0.64 GABRA1 (0.42) GABRA1GABRB2KDM4EMEN1MAPT
SCHEMBL170726 0.63 GABRA1 (0.48) GABRA1GABRB2KDM4EMEN1MAPT

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 GABRA1 19/4885GABRB2 34/4885KDM4E 3168/4885

“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.