SCHEMBL425929

SCHEMBL425929

FC(F)(F)c1ccc2c(N3CCNCC3)cccc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.71
HTR6 P50406 5/20 0.56
HTR2C P28335 2/20 0.56
ADRA2A P08913 1/20 0.56
AXL P30530 1/20 0.56
HRH1 P35367 1/20 0.56
HTR2B P41595 1/20 0.56
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
NCF1 P14598 8/20 0.52
CYP1A2 P05177 2/20 0.51
HTR5A P47898 2/20 0.51
HTR2A P28223 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR1D P28221 1/20 0.51

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
SCHEMBL30058924 0.83 ADRB2 (1.00) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL2711296 0.83 ADRB2 (1.00) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL27656377 0.81 NCF1 (0.55) ADRB2HTR6HTR2CNCF1CYP1A2
SCHEMBL2724231 0.79 ADRB2 (0.90) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL428165 0.78 NCF1 (0.69) ADRB2HTR6HTR2CHTR2BNCF1
SCHEMBL430602 0.78 NCF1 (0.51) ADRB2HTR6HTR2CNCF1CYP1A2
SCHEMBL429723 0.78 NCF1 (0.51) ADRB2HTR6HTR2CNCF1CYP1A2
SCHEMBL13853243 0.77 ADRB1 (0.58) ADRB2HTR6HTR2CADRA2AAXL
SCHEMBL4171704 0.76 HTR6 (0.56) ADRB2HTR6HTR2BNCF1CYP1A2
SCHEMBL430944 0.75 NCF1 (0.51) ADRB2HTR6HTR2CNCF1CYP1A2

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
CN-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 CN disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 CN 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 252/4885HTR6 213/4885HTR2C 72/4885

“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.