SCHEMBL6711353

SCHEMBL6711353

COc1cc2c(cc1OCC(=O)c1c3n(c4ccccc14)CCNCC3)C(=O)CC2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.48
HTR2A P28223 7/20 0.48
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
REN P00797 3/20 0.37
HTR6 P50406 1/20 0.34
LMNA P02545 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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 0.85 HTR2C (0.61) HTR2CHTR2AKDM4EALDH1A1HPGD
SCHEMBL6713891 0.84 HTR2A (0.52) HTR2CHTR2A
SCHEMBL6715486 0.82 HTR2C (0.52) HTR2CHTR2AKDM4EALDH1A1HPGD
SCHEMBL6715574 0.82 HTR2A (0.53) HTR2CHTR2AKDM4EALDH1A1HPGD
SCHEMBL6718311 0.81 HTR2A (0.53) HTR2CHTR2AKDM4EALDH1A1HPGD
SCHEMBL6810496 0.81 HTR2A (0.45) HTR2CHTR2AREN
SCHEMBL6715800 0.81 HTR2C (0.54) HTR2CHTR2AKDM4EALDH1A1HPGD
SCHEMBL6713784 0.80 HTR2A (0.51) HTR2CHTR2AKDM4EALDH1A1HPGD
SCHEMBL6714333 0.79 HTR2C (0.58) HTR2CHTR2AKDM4EALDH1A1REN
SCHEMBL6711392 0.79 HTR2A (0.58) HTR2CHTR2AKDM4EALDH1A1HPGD

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 18/4885KDM4E 1296/4885
US-20040209870-A1 Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds HCRTR2, NR2C2, RCOR3 HTR2C 553/4885HTR2A 1403/4885KDM4E 3204/4885

“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.