SCHEMBL428424

SCHEMBL428424

Cc1ccc2c(N3CCN(CCc4cccc(Br)c4O)CC3)cccc2n1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.66
HTR1A P08908 18/20 0.63
HTR1D P28221 18/20 0.63
HTR1B P28222 18/20 0.63
SLC6A4 P31645 17/20 0.63
KCNH2 Q12809 16/20 0.63
CYP3A4 P08684 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57

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 0.84 HTR1A (0.66) CYP2C9HTR1AHTR1DHTR1BSLC6A4
SCHEMBL430857 0.82 HTR1A (0.57) CYP2C9HTR1AHTR1DHTR1BSLC6A4
SCHEMBL6065950 0.82 CYP2C9 (0.73) CYP2C9HTR1AHTR1DHTR1BSLC6A4
SCHEMBL429143 0.81 HTR1A (0.56) CYP2C9HTR1AHTR1DHTR1BSLC6A4
SCHEMBL428781 0.80 HTR1A (0.56) CYP2C9HTR1AHTR1DHTR1BSLC6A4
SCHEMBL27688250 0.80 CYP2C9 (0.70) CYP2C9HTR1AHTR1DHTR1BKCNH2
SCHEMBL2880734 0.80 CYP2C9 (0.65) CYP2C9HTR1AHTR1DHTR1BSLC6A4
SCHEMBL6066050 0.80 CYP2C9 (0.65) CYP2C9HTR1AHTR1DHTR1BSLC6A4
SCHEMBL2880901 0.79 CYP2C9 (0.79) CYP2C9HTR1AHTR1DHTR1BKCNH2
Hydrochloric Acid SCHEMBL27670548 0.79 CYP2C9 (0.62) CYP2C9HTR1AHTR1DHTR1BSLC6A4

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 CYP2C9 1185/4885HTR1A 7/4885HTR1D 11/4885

“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.