SCHEMBL6714155

SCHEMBL6714155

CCC(=O)c1cc(OC)ccc1-c1ccc2c(c1)N1CCNCCC1C2

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.57
HTR2A P28223 12/20 0.57
HTR6 P50406 2/20 0.44
HTR2B P41595 4/20 0.44
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
HSD11B1 P28845 1/20 0.36
MTNR1B P49286 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
SCHEMBL6712293 0.93 HTR2C (0.57) HTR2CHTR2AHTR6HTR2B
SCHEMBL6715359 0.90 HTR2C (0.55) HTR2CHTR2AHTR6HTR2BHTR1A
SCHEMBL6714133 0.86 HTR2C (0.62) HTR2CHTR2AHTR6HTR2BHTR1A
SCHEMBL6711999 0.83 HTR2C (0.63) HTR2CHTR2AHTR6HTR2BHTR1A
SCHEMBL6715380 0.83 HTR2C (0.58) HTR2CHTR2AHTR6HTR2BHTR1A
SCHEMBL6713697 0.83 HTR2C (0.59) HTR2CHTR2AHTR6HTR2BHTR1A
SCHEMBL6714269 0.83 HTR2C (0.57) HTR2CHTR2AHTR2B
SCHEMBL6715710 0.82 HTR2C (0.55) HTR2CHTR2AHTR6HTR2BHTR1A
SCHEMBL6711436 0.82 HTR2C (0.57) HTR2CHTR2AHTR6HTR2BHTR1A
SCHEMBL6712431 0.82 HTR2C (0.59) HTR2CHTR2AHTR6HTR2BHTR1A

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 2 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 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 HTR2C 7/4885HTR2A 18/4885HTR6 19/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2C 553/4885HTR2A 1403/4885HTR6 516/4885

“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.