Sugi Predict

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SCHEMBL6715306

SCHEMBL6715306

Cc1cc(C)c(NC(=O)C(=O)c2c3n(c4ccccc24)CCNCC3)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.61
▸ HTR2C P28335 7/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ REN P00797 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTR4 Q13639 1/20 0.35

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
SCHEMBL6712815 0.92 HTR2A (0.64) HTR2AHTR2CSMN1; SMN2ALDH1A1MEN1
SCHEMBL6713675 0.89 HTR2A (0.62) HTR2AHTR2CSMN1; SMN2MEN1KMT2A
SCHEMBL6713171 0.86 HTR2A (0.54) HTR2AHTR2CMEN1KMT2AHTR6
SCHEMBL6713879 0.85 HTR2A (0.64) HTR2AHTR2CSMN1; SMN2ALDH1A1MEN1
SCHEMBL6714643 0.85 HTR2A (0.60) HTR2AHTR2CALDH1A1MEN1KMT2A
SCHEMBL6711187 0.85 HTR2A (0.51) HTR2AHTR2CSMN1; SMN2ALDH1A1MEN1
SCHEMBL6715431 0.83 HTR2A (0.64) HTR2AHTR2CHTR6RENHTR4
SCHEMBL6711021 0.83 HTR2A (0.61) HTR2AHTR2CSMN1; SMN2ALDH1A1MEN1
SCHEMBL6713950 0.83 HTR2A (0.60) HTR2AHTR2CALDH1A1MEN1KMT2A
SCHEMBL6715343 0.83 HTR2A (0.69) HTR2AHTR2CALDH1A1MEN1KMT2A

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 7/4885SMN1; SMN2 3137/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885SMN1; SMN2 3483/4885

“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.