SCHEMBL6719341

SCHEMBL6719341

Cc1ccc(-c2ccc3cc4n(c3c2)CCNCC4)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.58
HTR2C P28335 11/20 0.58
ADRB1 P08588 2/20 0.41
HTR7 P34969 7/20 0.38
HTR1A P08908 4/20 0.38
HTR1D P28221 4/20 0.38
HTR2B P41595 4/20 0.38
HTR6 P50406 4/20 0.38
HTR1B P28222 2/20 0.38
HTR5A P47898 2/20 0.38
KHK P50053 2/20 0.37
HTR3A P46098 2/20 0.35
HTR1E P28566 2/20 0.34

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
SCHEMBL6711262 0.89 HTR2A (0.58) HTR2AHTR2CADRB1HTR7HTR1A
SCHEMBL6711322 0.87 HTR2A (0.68) HTR2AHTR2CADRB1HTR7HTR1A
SCHEMBL6713608 0.86 HTR2A (0.58) HTR2AHTR2CHTR7HTR1AHTR1D
SCHEMBL6711196 0.86 HTR2C (0.59) HTR2AHTR2CADRB1HTR7HTR1A
SCHEMBL6715426 0.86 HTR2A (0.52) HTR2AHTR2CADRB1HTR7HTR1A
SCHEMBL6711371 0.85 HTR2A (0.55) HTR2AHTR2CHTR7HTR1AHTR6
SCHEMBL6715702 0.85 HTR2A (0.62) HTR2AHTR2CADRB1HTR7HTR1A
SCHEMBL6711145 0.85 HTR2A (0.55) HTR2AHTR2CHTR7HTR1AKHK
SCHEMBL6711417 0.85 HTR2A (0.55) HTR2AHTR2CHTR6KHK
SCHEMBL6715339 0.85 HTR2A (0.57) HTR2AHTR2CHTR6

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 6 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
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 7/4885ADRB1 30/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885ADRB1 187/4885

“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.