SCHEMBL6715800

SCHEMBL6715800

COc1cccc(OCC(=O)c2c3n(c4ccccc24)CCNCC3)c1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.54
HTR2A P28223 7/20 0.54
REN P00797 2/20 0.41
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTR7 P34969 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
HTR1A P08908 1/20 0.36
HTR3A P46098 1/20 0.36
ACHE P22303 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
SCHEMBL6716128 0.92 HTR2C (0.61) HTR2CHTR2ARENHTR6ALDH1A1
SCHEMBL6711544 0.86 HTR2A (0.58) HTR2CHTR2AALDH1A1KDM4EHPGD
SCHEMBL6718513 0.85 HTR2A (0.55) HTR2CHTR2ARENALDH1A1KDM4E
SCHEMBL6715718 0.85 HTR2A (0.57) HTR2CHTR2ARENALDH1A1KDM4E
SCHEMBL6715486 0.84 HTR2C (0.52) HTR2CHTR2ARENHTR6ALDH1A1
SCHEMBL6711392 0.84 HTR2A (0.58) HTR2CHTR2AHTR6ALDH1A1KDM4E
SCHEMBL6713960 0.84 HTR2C (0.58) HTR2CHTR2ARENHTR6ALDH1A1
SCHEMBL6719295 0.84 HTR2A (0.58) HTR2CHTR2AREN
SCHEMBL6711312 0.84 HTR2A (0.58) HTR2CHTR2AALDH1A1KDM4EPOLB
SCHEMBL6714333 0.84 HTR2C (0.58) HTR2CHTR2ARENALDH1A1KDM4E

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 HTR2C 7/4885HTR2A 18/4885REN 1748/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2C 553/4885HTR2A 1403/4885REN 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.