Sugi Predict

Sugi Predict / Compounds / SCHEMBL6715404

SCHEMBL6715404

SCHEMBL6715404

CCOC(=O)CC1Cc2c(cccc2OC)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.51
▸ CYP1A2 P05177 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ DHFR P00374 1/20 0.41
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MTNR1B P49286 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
SCHEMBL6711082 0.78 CYP1A2 (0.49) MTNR1ACYP1A2TSHRHSD17B10KMT2A
SCHEMBL13573369 0.76 EGFR (0.43) MTNR1AHSD17B10MAPT
SCHEMBL4020604 0.75 CYP1A2 (0.56) CYP1A2TSHRHSD17B10KMT2AMAPT
SCHEMBL11710237 0.73 MTNR1A (0.46) MTNR1ATSHRHSD17B10KMT2AMAPT
SCHEMBL11627496 0.73 MTNR1A (0.57) MTNR1ACYP1A2TSHRHSD17B10KMT2A
SCHEMBL9441289 0.72 CYP1A2 (0.43) MTNR1ACYP1A2DRD2DRD3DHFR
SCHEMBL926564 0.72 DRD2 (0.52) MTNR1ACYP1A2DRD2DRD3HSD17B10
SCHEMBL7660514 0.72 DRD2 (0.52) MTNR1ACYP1A2DRD2DRD3HSD17B10
SCHEMBL7044778 0.70 DRD2 (0.51) MTNR1ACYP1A2DRD2DRD3TSHR
SCHEMBL4838972 0.70 DRD2 (0.51) MTNR1ACYP1A2DRD2DRD3TSHR

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 5 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 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 MTNR1A 46/4885CYP1A2 105/4885DRD2 21/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 MTNR1A 288/4885CYP1A2 802/4885DRD2 251/4885

“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.