SCHEMBL6716111

SCHEMBL6716111

Clc1ccc(-c2ccc3c(c2)cc2n3CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.59
HTR2A P28223 14/20 0.59
HTR3A P46098 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
ADRB1 P08588 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
HTR2B P41595 4/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
HTR7 P34969 2/20 0.35
HTR6 P50406 2/20 0.35
HTR1A P08908 1/20 0.35
HTR5A P47898 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL6711196 0.89 HTR2C (0.59) HTR2CHTR2AHTR3ASIGMAR1ADRB1
SCHEMBL6714402 0.88 HTR2C (0.58) HTR2CHTR2AHTR3ASIGMAR1ADRB1
SCHEMBL6712442 0.88 HTR2A (0.57) HTR2CHTR2AADRB1CHRM2CHRM4
SCHEMBL6715974 0.86 HTR2C (0.56) HTR2CHTR2AADRB1HTR2BCHRM2
SCHEMBL6711262 0.86 HTR2A (0.58) HTR2CHTR2AHTR3ASIGMAR1ADRB1
SCHEMBL6711419 0.86 HTR2A (0.58) HTR2CHTR2AHTR3AHTR2BHTR7
SCHEMBL6713913 0.86 HTR2A (0.56) HTR2CHTR2AHTR3AHTR3EHTR3B
SCHEMBL6712578 0.86 HTR2A (0.56) HTR2CHTR2AHTR3AADRB1HTR3E
SCHEMBL6713513 0.85 HTR2A (0.55) HTR2CHTR2AHTR2BHTR6
SCHEMBL6712332 0.85 HTR2A (0.57) HTR2CHTR2AHTR6

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
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 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
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 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 HTR2C 7/4885HTR2A 18/4885HTR3A 11/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2C 553/4885HTR2A 1403/4885HTR3A 396/4885

“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.