Sugi Predict

Sugi Predict / Compounds / SCHEMBL6711192

SCHEMBL6711192

SCHEMBL6711192

O=C(COc1ccnc2ccccc12)c1c2n(c3ccccc13)CCNCC2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.55
▸ HTR2C P28335 7/20 0.55
▸ ADRB2 P07550 1/20 0.40
▸ NCF1 P14598 1/20 0.40
▸ SSTR4 P31391 1/20 0.38
▸ OPRD1 P41143 1/20 0.35
▸ REN P00797 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL6711544 0.85 HTR2A (0.58) HTR2AHTR2CALDH1A1CYP3A4TSHR
SCHEMBL6711977 0.85 HTR2A (0.61) HTR2AHTR2CREN
SCHEMBL6718875 0.83 HTR2A (0.54) HTR2AHTR2CREN
SCHEMBL6712136 0.83 HTR2A (0.56) HTR2AHTR2CRENALDH1A1TSHR
SCHEMBL6714333 0.83 HTR2C (0.58) HTR2AHTR2CRENALDH1A1LMNA
SCHEMBL6713960 0.83 HTR2C (0.58) HTR2AHTR2CRENALDH1A1MAPT
SCHEMBL6716128 0.83 HTR2C (0.61) HTR2AHTR2CRENALDH1A1TSHR
SCHEMBL6711312 0.83 HTR2A (0.58) HTR2AHTR2CALDH1A1MAPT
SCHEMBL6711220 0.83 HTR2A (0.58) HTR2AHTR2CRENLMNAMAPT
SCHEMBL6718512 0.82 HTR2A (0.51) HTR2AHTR2COPRD1RENALDH1A1

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 7/4885ADRB2 34/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885ADRB2 82/4885

“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.