SCHEMBL5740802

SCHEMBL5740802

c1cc2c3c(c1)c1c(n3CCNCC2)CCCCC1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.80
HTR2A P28223 12/20 0.80
KDM4E B2RXH2 1/20 0.78
MEN1 O00255 1/20 0.78
TP53 P04637 1/20 0.78
CYP1A2 P05177 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
MAPT P10636 1/20 0.78
CYP2C9 P11712 1/20 0.78
ALOX15 P16050 1/20 0.78
MAPK1 P28482 1/20 0.78
CYP2C19 P33261 1/20 0.78
KMT2A Q03164 1/20 0.78
HSD17B10 Q99714 1/20 0.78
TDP1 Q9NUW8 1/20 0.78

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
SCHEMBL5739830 0.99 HTR2C (0.80) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL5739283 0.96 HTR2C (0.80) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL5633951 0.89 HTR2C (1.00) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL5394622 0.89 HTR2C (1.00) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL7669760 0.87 HTR2C (1.00) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL29462303 0.87 HTR2C (1.00) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL3539313 0.85 HTR2C (0.69) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL3542992 0.85 HTR2C (0.69) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL4352456 0.84 HTR2C (1.00) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL3550600 0.84 HTR2C (0.68) HTR2CHTR2AKDM4EMEN1TP53

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 5 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
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
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.