SCHEMBL6711345

SCHEMBL6711345

CCc1cccc(NC(=O)C(=O)c2c3n(c4ccccc24)CCNCC3)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.57
HTR2C P28335 7/20 0.57
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
KDR P35968 3/20 0.39
PDGFRB P09619 2/20 0.39
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL6719094 0.91 HTR2A (0.57) HTR2AHTR2C
SCHEMBL6714643 0.87 HTR2A (0.60) HTR2AHTR2CMEN1KMT2ACCNC
SCHEMBL6715343 0.86 HTR2A (0.69) HTR2AHTR2CMEN1KMT2AHPGD
SCHEMBL6712421 0.85 HTR2A (0.60) HTR2AHTR2CMAPTLMNAGAA
SCHEMBL6718449 0.85 HTR2A (0.57) HTR2AHTR2CSMN1; SMN2HTTMAPK1
SCHEMBL6714449 0.84 HTR2A (0.58) HTR2AHTR2CMAPTLMNAMEN1
SCHEMBL6713675 0.83 HTR2A (0.62) HTR2AHTR2CMAPTGAASMN1; SMN2
SCHEMBL6712463 0.83 HTR2A (0.59) HTR2AHTR2CMAPTGAAMEN1
SCHEMBL6713947 0.82 HTR2A (0.61) HTR2AHTR2CMAPTMEN1KMT2A
SCHEMBL6710856 0.82 HTR2A (0.61) HTR2AHTR2CMAPTMEN1KMT2A

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-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 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
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 HTR2A 18/4885HTR2C 7/4885MAPT 2943/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885MAPT 3309/4885

“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.