Sugi Predict

Sugi Predict / Compounds / SCHEMBL6714033

SCHEMBL6714033

SCHEMBL6714033

O=C(Nc1ccccn1)C(=O)c1c2n(c3ccccc13)CCNCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.62
▸ HTR2C P28335 7/20 0.62
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ PKM P14618 2/20 0.43
▸ EGFR P00533 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ REN P00797 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36

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
SCHEMBL6718899 0.89 HTR2A (0.59) HTR2AHTR2CNPC1RAB9APKM
SCHEMBL6711473 0.84 HTR2A (0.64) HTR2AHTR2CREN
SCHEMBL6715343 0.84 HTR2A (0.69) HTR2AHTR2CNPC1RAB9AEGFR
SCHEMBL6805899 0.82 HTR2A (0.56) HTR2AHTR2CRAB9AKDM4EMAPT
SCHEMBL6714604 0.82 HTR2A (0.58) HTR2AHTR2CNPC1RAB9AEGFR
SCHEMBL6712386 0.82 HTR2C (0.60) HTR2AHTR2CNPC1RAB9APKM
SCHEMBL6713765 0.81 HTR2A (0.57) HTR2AHTR2CKDM4EALDH1A1MEN1
SCHEMBL6713671 0.80 HTR2A (0.64) HTR2AHTR2CNPC1RAB9AKDM4E
SCHEMBL6711890 0.80 HTR2A (0.67) HTR2AHTR2CNPC1RAB9AKDM4E
SCHEMBL6712815 0.80 HTR2A (0.64) HTR2AHTR2CNPC1RAB9ALMNA

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 7/4885NPC1 2492/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885NPC1 1310/4885

“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.