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SCHEMBL6712005

SCHEMBL6712005

Cc1cccc2sc(NC(=O)C(=O)c3c4n(c5ccccc35)CCNCC4)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.52
▸ HTR2C P28335 4/20 0.52
▸ MAPT P10636 2/20 0.44
▸ ACHE P22303 7/20 0.44
▸ BCHE P06276 6/20 0.44
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ GRIN2B Q13224 3/20 0.41
▸ P2RX7 Q99572 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6711187 0.90 HTR2A (0.51) HTR2AHTR2CMAPTLMNAALDH1A1
SCHEMBL6715438 0.90 HTR2A (0.52) HTR2AHTR2CMAPTLMNAALDH1A1
SCHEMBL6712270 0.89 HTR2A (0.50) HTR2AHTR2CMAPTLMNAALDH1A1
SCHEMBL6711186 0.87 HTR2A (0.57) HTR2AHTR2CMAPTMAPK1MEN1
SCHEMBL6718323 0.86 HTR2A (0.52) HTR2AHTR2CNPC1RAB9A
SCHEMBL6712815 0.84 HTR2A (0.64) HTR2AHTR2CMAPTLMNAALDH1A1
SCHEMBL6718670 0.84 HTR2A (0.52) HTR2AHTR2CMAPTLMNAALDH1A1
SCHEMBL6718786 0.84 HTR2A (0.52) HTR2AHTR2CMAPTLMNAALDH1A1
SCHEMBL6715286 0.83 HTR2A (0.51) HTR2AHTR2CMAPTLMNAALDH1A1
SCHEMBL6712249 0.81 HTR2A (0.57) HTR2AHTR2CLMNAALDH1A1HTT

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 7/4885MAPT 2943/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885MAPT 3309/4885

“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.