SCHEMBL6714291

SCHEMBL6714291

FC(F)(F)Oc1ccc(-c2cccc3cc4n(c23)CCNCC4)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.45
HTR2A P28223 5/20 0.45
PARP1 P09874 4/20 0.40
ABL1 P00519 1/20 0.38
HTR2B P41595 1/20 0.38
SCN4A P35499 1/20 0.37
SCN9A Q15858 1/20 0.37
PRKDC P78527 1/20 0.37
PIM1 P11309 1/20 0.37
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MARK3 P27448 1/20 0.36
PRKCI P41743 1/20 0.36
PRKCD Q05655 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 1/20 0.36
BRSK1 Q8TDC3 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36

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
SCHEMBL6718981 0.85 HTR2C (0.45) HTR2CHTR2APARP1ABL1SCN4A
SCHEMBL6715767 0.85 PARP1 (0.55) HTR2CHTR2APARP1ABL1HTR2B
SCHEMBL6711188 0.85 HTR2C (0.48) HTR2CHTR2APARP1HTR2BPIM1
SCHEMBL6711203 0.83 PARP1 (0.52) HTR2CHTR2APARP1HTR1AHTR7
SCHEMBL6714153 0.83 HTR2C (0.53) HTR2CHTR2APARP1HTR2BSCN9A
SCHEMBL6713706 0.82 HTR2A (0.58) HTR2CHTR2APARP1HTR1AHTR7
SCHEMBL6716142 0.81 HTR2A (0.53) HTR2CHTR2APARP1HTR2BHTR1A
SCHEMBL6716179 0.81 HTR2A (0.51) HTR2CHTR2APARP1HTR1AHTR7
SCHEMBL6713479 0.81 HTR2A (0.55) HTR2CHTR2APARP1PIM1PIM2
SCHEMBL6714147 0.81 HTR2A (0.50) HTR2CHTR2APARP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds ENNIS MICHAEL DALTON (US) 2004-10-21 US claimed
US-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 US claimed
US-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds PHARMACIA & UPJOHN COMPANY 2002-01-03 US claimed
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds ENNIS MICHAEL DALTON (US) 2004-10-21 US disclosed
US-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 US disclosed
EP-1328525-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-A]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-23 EP disclosed
US-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds PHARMACIA & UPJOHN COMPANY 2002-01-03 US disclosed
WO-2001072752-A2 2,3,4,5-TETRAHYDRO-1H-[1,4]DIAZEPINO[1,7-a]INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2001-10-04 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 (2 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-20020002161-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HTR1D, HTR1A, HTR1E HTR2C 7/4885HTR2A 18/4885PARP1 1281/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2C 553/4885HTR2A 1403/4885PARP1 1140/4885

“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.