Sugi Predict

Sugi Predict / Compounds / SCHEMBL6715280

SCHEMBL6715280

SCHEMBL6715280

Sc1ccccc1-c1cccc2cc3n(c12)CCNCC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 9/20 0.56
▸ HTR2C P28335 8/20 0.56
▸ PARP1 P09874 8/20 0.39
▸ HTR3E A5X5Y0 2/20 0.33
▸ HTR3B O95264 2/20 0.33
▸ HTR3A P46098 2/20 0.33
▸ HTR5A P47898 2/20 0.33
▸ HTR3D Q70Z44 2/20 0.33
▸ HTR3C Q8WXA8 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ NCF1 P14598 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ MTOR P42345 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
SCHEMBL7609832 0.90 HTR2A (0.46) HTR2AHTR2CPARP1
SCHEMBL6713804 0.84 HTR2A (0.56) HTR2AHTR2CPARP1HTR1AHTR7
SCHEMBL6715392 0.84 HTR2A (0.59) HTR2AHTR2CPARP1HTR7CYP1A2
SCHEMBL6713706 0.84 HTR2A (0.58) HTR2AHTR2CPARP1HTR5AHTR1A
SCHEMBL6714438 0.84 HTR2C (0.52) HTR2AHTR2CPARP1HTR3EHTR3B
SCHEMBL6711108 0.81 HTR2A (0.62) HTR2AHTR2CPARP1HTR3EHTR3B
SCHEMBL6710943 0.81 HTR2A (0.52) HTR2AHTR2CPARP1HTR3AHTR1A
SCHEMBL6718939 0.81 HTR2A (0.52) HTR2AHTR2CPARP1CYP1A2HSD17B10
SCHEMBL6715371 0.81 HTR2A (0.51) HTR2AHTR2CPARP1HTR1AHTR7
SCHEMBL6715772 0.81 HTR2A (0.58) HTR2AHTR2CPARP1HTR3AHTR1A

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 7/4885PARP1 1281/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885PARP1 1140/4885

“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.