SCHEMBL428199

SCHEMBL428199

CCOC(=O)c1ncn2c1CCc1c-2ccc(C)c1CCN1CCC(c2cccc3nc(C)ccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.54
HTR1D P28221 18/20 0.54
SLC6A4 P31645 18/20 0.54
KCNH2 Q12809 18/20 0.54
HTR1B P28222 17/20 0.52
CYP2C9 P11712 1/20 0.52
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
ADRA1A P35348 1/20 0.41
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
Hydrochloric Acid SCHEMBL427183 0.99 HTR1A (0.54) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL429528 0.92 HTR1A (0.58) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL10212429 0.91 HTR1A (0.56) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL427013 0.90 HTR1A (0.60) HTR1AHTR1DSLC6A4KCNH2HTR1B
Hydrochloric Acid SCHEMBL432599 0.90 HTR1A (0.56) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL10212421 0.89 HTR1A (0.55) HTR1AHTR1DSLC6A4KCNH2HTR1B
Hydrochloric Acid SCHEMBL431398 0.89 HTR1A (0.59) HTR1AHTR1DSLC6A4KCNH2HTR1B
Hydrochloric Acid SCHEMBL427236 0.89 HTR1A (0.54) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL430937 0.88 HTR1A (0.67) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL431038 0.88 HTR1A (0.65) HTR1AHTR1DSLC6A4KCNH2HTR1B

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 3 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
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 7/4885HTR1D 11/4885SLC6A4 376/4885

“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.