SCHEMBL425989

SCHEMBL425989

Cc1ccc2c(C3CCNC(C)C3)cccc2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.42
PDK4 Q16654 2/20 0.42
HTR1A P08908 4/20 0.40
HTR1D P28221 4/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HTR1B P28222 3/20 0.35
ACVR1B P36896 4/20 0.34
ACVRL1 P37023 4/20 0.34
ACVR1 Q04771 4/20 0.34
BMPR1B O00238 3/20 0.34
BMPR1A P36894 2/20 0.34
HTR2C P28335 2/20 0.34
PLG P00747 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL429640 0.83 HTR2C (0.51) PDK2PDK4HTR1AHTR1DSLC6A4
SCHEMBL13525142 0.73 HTR1A (0.54) PDK2PDK4HTR1AHTR1DSLC6A4
SCHEMBL5759614 0.71 MTNR1A (0.44) HTR2CCYP1A2
SCHEMBL5759610 0.71 MTNR1A (0.44) HTR2CCYP1A2
SCHEMBL5759605 0.71 MTNR1A (0.44) HTR2CCYP1A2
SCHEMBL6595010 0.69 SLC6A4 (0.41) HTR1ASLC6A4HTR2CPLG
SCHEMBL6599216 0.69 SLC6A4 (0.42) HTR1ASLC6A4HTR2CPLG
SCHEMBL6599220 0.69 SLC6A4 (0.42) HTR1ASLC6A4HTR2CPLG
SCHEMBL6595014 0.69 SLC6A4 (0.41) HTR1ASLC6A4HTR2CPLG
SCHEMBL6599214 0.69 SLC6A4 (0.42) HTR1ASLC6A4HTR2CPLG

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 6 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
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 PDK2 1399/4885PDK4 1468/4885HTR1A 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.