SCHEMBL6715478

SCHEMBL6715478

Cc1ccccc1-c1cccc2cc3n(c12)CCNCC3.Fc1cccc(C(F)(F)F)c1-c1cccc2cc3n(c12)CCNCC3

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.42
HTR2A P28223 8/20 0.42
HTR7 P34969 2/20 0.35
SOS1 Q07889 2/20 0.35
HTR1A P08908 1/20 0.34
MDM2 Q00987 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2C9 P11712 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2B P41595 3/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL6714433 0.92 HTR2C (0.45) HTR2CHTR2AMDM2CYP1A2CYP2C19
SCHEMBL6711135 0.86 HTR2C (0.49) HTR2CHTR2ACYP1A2CYP2C19CYP2C9
SCHEMBL6713804 0.85 HTR2A (0.56) HTR2CHTR2AHTR7HTR1ACYP1A2
SCHEMBL6714438 0.84 HTR2C (0.52) HTR2CHTR2ASOS1CYP1A2CYP2C19
SCHEMBL6719399 0.82 HTR2C (0.52) HTR2CHTR2AHTR7HTR1AHRH4
SCHEMBL6718623 0.78 HTR2C (0.45) HTR2CHTR2AHTR7MDM2CYP1A2
SCHEMBL6714458 0.78 HTR2A (0.53) HTR2CHTR2AHTR1AHRH4
SCHEMBL6711534 0.78 HTR2A (0.47) HTR2CHTR2AHTR7HTR1A
SCHEMBL6719220 0.78 HTR2A (0.47) HTR2CHTR2AHTR7HTR1AHRH4
SCHEMBL6711075 0.77 HTR2A (0.51) HTR2CHTR2AHTR7HTR1ACYP1A2

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 1 patent. 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

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-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2C 553/4885HTR2A 1403/4885HTR7 160/4885

“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.