SCHEMBL6720074

SCHEMBL6720074

COc1ccc(F)cc1-c1ccc2c(c1)CC1CCNCCN21

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.64
HTR2A P28223 7/20 0.53
HTR2B P41595 3/20 0.46
CCNT1 O60563 6/20 0.42
CDK9 P50750 6/20 0.42
FYN P06241 1/20 0.42
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 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
SCHEMBL6712309 0.92 HTR2C (0.64) HTR2CHTR2AHTR2BCCNT1CDK9
SCHEMBL6713846 0.89 HTR2C (0.78) HTR2CHTR2AHTR7HTR6
SCHEMBL6715485 0.86 HTR2C (0.61) HTR2CHTR2AHTR2BHTR7HTR6
SCHEMBL6718751 0.84 HTR2C (0.61) HTR2CHTR2AHTR2BHTR6
SCHEMBL6715465 0.84 HTR2C (0.62) HTR2CHTR2AHTR2BHTR6
SCHEMBL6713630 0.83 HTR2C (0.63) HTR2CHTR2AHTR2BHTR7HTR6
SCHEMBL6714178 0.82 HTR2C (0.60) HTR2CHTR2AHTR2BHTR7HTR6
SCHEMBL6711189 0.82 HTR2C (0.59) HTR2CHTR2AHTR2BHTR6
SCHEMBL6712046 0.81 HTR2C (0.58) HTR2CHTR2AHTR2BHTR7HTR6
SCHEMBL6712385 0.81 HTR2C (0.78) HTR2CHTR2AHTR7HTR6

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 10 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
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 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
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 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 18/4885HTR2B 15/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2C 553/4885HTR2A 1403/4885HTR2B 692/4885

“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.