SCHEMBL6715958

SCHEMBL6715958

CCc1cccc(OCC(=O)c2c3n(c4ccccc24)CCNCC3)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.53
HTR2C P28335 7/20 0.53
REN P00797 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 2/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6712194 0.89 HTR2A (0.56) HTR2AHTR2CKDM4EALDH1A1SMN1; SMN2
SCHEMBL6714043 0.89 HTR2A (0.55) HTR2AHTR2CRENKDM4EALDH1A1
SCHEMBL6713586 0.87 HTR2A (0.63) HTR2AHTR2CRENSMN1; SMN2KMT2A
SCHEMBL6719307 0.87 HTR2A (0.55) HTR2AHTR2CRENALDH1A1SMN1; SMN2
SCHEMBL6715470 0.87 HTR2A (0.55) HTR2AHTR2CRENKDM4EALDH1A1
SCHEMBL6711446 0.86 HTR2A (0.53) HTR2AHTR2CRENALDH1A1SMN1; SMN2
SCHEMBL6715716 0.86 HTR2A (0.53) HTR2AHTR2CRENKDM4EALDH1A1
SCHEMBL6713766 0.85 HTR2C (0.53) HTR2AHTR2CRENSMN1; SMN2
SCHEMBL6719112 0.84 HTR2A (0.57) HTR2AHTR2CKDM4EALDH1A1SMN1; SMN2
SCHEMBL6712398 0.84 HTR2C (0.58) HTR2AHTR2CRENKDM4EALDH1A1

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 7/4885REN 1748/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2A 1403/4885HTR2C 553/4885REN 3011/4885

“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.