Sugi Predict

Sugi Predict / Compounds / SCHEMBL6718512

SCHEMBL6718512

SCHEMBL6718512

O=C(COc1cccc2cnccc12)c1c2n(c3ccccc13)CCNCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.51
▸ HTR2C P28335 7/20 0.51
▸ KDM4E B2RXH2 5/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ PRKD3 O94806 2/20 0.39
▸ PRKCG P05129 2/20 0.39
▸ PRKCB P05771 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ PRKCA P17252 2/20 0.39
▸ PRKACA P17612 2/20 0.39
▸ PRKACG P22612 2/20 0.39
▸ PRKACB P22694 2/20 0.39
▸ PRKCH P24723 2/20 0.39
▸ PRKCI P41743 2/20 0.39
▸ PRKCE Q02156 2/20 0.39
▸ PRKCQ Q04759 2/20 0.39
▸ PRKCZ Q05513 2/20 0.39
▸ PRKCD Q05655 2/20 0.39
▸ PRKD1 Q15139 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39

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 0.91 HTR2A (0.58) HTR2AHTR2CKDM4ECYP3A4CYP1A2
SCHEMBL6713514 0.85 HTR2A (0.53) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL6711220 0.83 HTR2A (0.58) HTR2AHTR2CMAPK1RENMAPT
SCHEMBL6711192 0.82 HTR2A (0.55) HTR2AHTR2CCYP3A4RENALDH1A1
SCHEMBL6718875 0.81 HTR2A (0.54) HTR2AHTR2CRENHTR1A
SCHEMBL6712475 0.81 HTR2A (0.50) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL6711312 0.81 HTR2A (0.58) HTR2AHTR2CKDM4EALDH1A1MAPT
SCHEMBL6716128 0.81 HTR2C (0.61) HTR2AHTR2CKDM4EMAPK1REN
SCHEMBL6714333 0.81 HTR2C (0.58) HTR2AHTR2CKDM4EMAPK1REN
SCHEMBL6713960 0.81 HTR2C (0.58) HTR2AHTR2CKDM4ERENALDH1A1

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 7/4885KDM4E 1296/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885KDM4E 3204/4885

“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.