SCHEMBL5739643

SCHEMBL5739643

Clc1ccc2c3c(n4c2c1CCNCC4)CCC3

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.54
HTR2A P28223 13/20 0.54
KDM4E B2RXH2 2/20 0.51
ALOX15 P16050 2/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTR2B P41595 3/20 0.41
HTR6 P50406 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL5740665 0.97 HTR2C (0.54) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL5740788 0.96 HTR2C (0.55) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL5740190 0.78 HTR2C (0.42) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL5739712 0.77 HTR2C (0.54) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL5739283 0.76 HTR2C (0.80) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL5739173 0.75 HTR2C (0.42) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL5739665 0.74 HTR2C (0.57) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL5740142 0.74 HTR2C (0.43) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL6847473 0.74 HTR2C (0.60) HTR2CHTR2AKDM4EALOX15MAPK1
SCHEMBL5739830 0.73 HTR2C (0.80) HTR2CHTR2AKDM4EALOX15MAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497296-B1 [1,4]DIAZOCINO[7,8,1-hi]INDOLE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS WYETH CORP (US) 2006-03-22 EP claimed
US-7012089-B2 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents WYETH (US) 2006-03-14 US claimed
US-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents WYETH 2004-02-19 US claimed
EP-1497296-B1 [1,4]DIAZOCINO[7,8,1-hi]INDOLE DERIVATIVES AS ANTIPSYCHOTIC AND ANTIOBESITY AGENTS WYETH CORP (US) 2006-03-22 EP disclosed
US-7012089-B2 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents WYETH (US) 2006-03-14 US disclosed
EP-1615916-A1 ANTIMICROBIAL 3.1.0 BICYCLOHEXYLPHENYL-OXAZOLIDINONE DERIVATIVES AND ANALOGUES Pharmacia & Upjohn Company LLC (US) 2006-01-18 EP disclosed
WO-2004089943-A1 ANTIMICROBIAL [3.1.0] BICYCLOHEXYLPHENYL-OXAZOLIDINONE DERIVATIVES AND ANALOGUES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents WYETH 2004-02-19 US 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 (1 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-20040034005-A1 [1,4]Diazocino[7,8,1-hi]indole derivatives as antipsychotic and antiobesity agents HTR1A, HTR2C, HTR1D HTR2C 2/4885HTR2A 9/4885KDM4E 2302/4885

“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.