SCHEMBL425778

SCHEMBL425778

Cc1ncc2c(N3CCN(CCc4c(F)ccc(Br)c4O)CC3)cccc2n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.50
HTR1D P28221 15/20 0.50
HTR1B P28222 15/20 0.50
SLC6A4 P31645 9/20 0.50
KCNH2 Q12809 7/20 0.50
CYP2C9 P11712 4/20 0.46
HTR7 P34969 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
SCHEMBL429685 0.87 HTR1A (0.66) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL429170 0.84 HTR1A (0.46) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL430518 0.81 HTR1A (0.50) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL428223 0.77 HTR1A (0.68) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL10211919 0.73 HTR1A (0.59) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL10212298 0.72 HTR1A (0.66) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL428465 0.72 HTR1A (0.67) HTR1AHTR1DHTR1BSLC6A4KCNH2
Hydrochloric Acid SCHEMBL428103 0.72 HTR1A (0.66) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL428424 0.71 CYP2C9 (0.66) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL430976 0.68 HTR1A (0.46) HTR1AHTR1DHTR1BSLC6A4KCNH2

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 7/4885HTR1D 11/4885HTR1B 25/4885

“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.