SCHEMBL425891

SCHEMBL425891

Cc1ccc2c(N3CCN(CCc4cccc5c4CCc4c(C(=O)O)nnn4-5)[C@H](C)C3)cc(F)cc2n1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.60
HTR1D P28221 19/20 0.60
SLC6A4 P31645 18/20 0.60
HTR1B P28222 17/20 0.60
KCNH2 Q12809 16/20 0.60

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
SCHEMBL10212557 0.94 SLC6A4 (0.59) HTR1AHTR1DSLC6A4HTR1BKCNH2
Hydrochloric Acid SCHEMBL459211 0.93 SLC6A4 (0.59) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL429358 0.93 HTR1A (0.58) HTR1AHTR1DSLC6A4HTR1BKCNH2
Hydrochloric Acid SCHEMBL429767 0.92 HTR1A (0.57) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL431073 0.88 HTR1A (0.61) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL429421 0.82 HTR1A (0.59) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL430579 0.80 HTR1A (0.60) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL10212551 0.79 HTR1A (0.71) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL428485 0.79 HTR1A (0.71) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL10212455 0.77 HTR1A (0.60) HTR1AHTR1DSLC6A4HTR1BKCNH2

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 11/4885SLC6A4 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.