SCHEMBL6718491

SCHEMBL6718491

O=C(COc1ccc(F)c2cccnc12)c1c2n(c3ccccc13)CCNCC2

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.51
HTR2C P28335 7/20 0.51
REN P00797 13/20 0.40

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
SCHEMBL6711349 0.89 HTR2A (0.51) HTR2AHTR2CREN
SCHEMBL6713514 0.87 HTR2A (0.53) HTR2AHTR2C
SCHEMBL6718875 0.83 HTR2A (0.54) HTR2AHTR2CREN
SCHEMBL6712505 0.83 HTR2A (0.54) HTR2AHTR2CREN
SCHEMBL6711977 0.83 HTR2A (0.61) HTR2AHTR2CREN
SCHEMBL6711192 0.81 HTR2A (0.55) HTR2AHTR2CREN
SCHEMBL6713693 0.80 HTR2C (0.54) HTR2AHTR2C
SCHEMBL6714275 0.80 ALDH1A1 (0.52) HTR2AHTR2CREN
SCHEMBL6719225 0.80 HIF1A (0.51) HTR2AHTR2C
SCHEMBL6713598 0.80 HTR2A (0.50) HTR2AHTR2CREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 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
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

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 HTR2A 18/4885HTR2C 7/4885REN 1748/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885REN 3011/4885

“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.