SCHEMBL429421

SCHEMBL429421

CCOC(=O)c1ncn2c1CCc1c(CCN3CCN(c4cc(F)cc5nc(C)ccc45)C[C@H]3C)cccc1-2

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.59
SLC6A4 P31645 20/20 0.59
KCNH2 Q12809 20/20 0.59
HTR1D P28221 19/20 0.59
HTR1B P28222 17/20 0.59
CYP2C9 P11712 1/20 0.52
CYP3A4 P08684 2/20 0.42
ADRA1A P35348 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL431073 0.93 HTR1A (0.61) HTR1ASLC6A4KCNH2HTR1DHTR1B
SCHEMBL431025 0.92 HTR1A (0.61) HTR1ASLC6A4KCNH2HTR1DHTR1B
Hydrochloric Acid SCHEMBL430971 0.91 HTR1A (0.60) HTR1ASLC6A4KCNH2HTR1DHTR1B
SCHEMBL429358 0.89 HTR1A (0.58) HTR1ASLC6A4KCNH2HTR1DHTR1B
SCHEMBL425990 0.88 HTR1A (0.69) HTR1ASLC6A4KCNH2HTR1DHTR1B
Hydrochloric Acid SCHEMBL429767 0.88 HTR1A (0.57) HTR1ASLC6A4KCNH2HTR1DHTR1B
SCHEMBL430579 0.85 HTR1A (0.60) HTR1ASLC6A4KCNH2HTR1DHTR1B
SCHEMBL10212403 0.83 HTR1A (0.59) HTR1ASLC6A4KCNH2HTR1DHTR1B
SCHEMBL430657 0.83 HTR1A (0.58) HTR1ASLC6A4KCNH2HTR1DHTR1B
Hydrochloric Acid SCHEMBL431993 0.83 HTR1A (0.58) HTR1ASLC6A4KCNH2HTR1DHTR1B

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 HTR1A 7/4885SLC6A4 376/4885KCNH2 1091/4885

“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.