SCHEMBL5741004

SCHEMBL5741004

CN1CCc2ccc(F)cc2NC(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.45
DPP4 P27487 1/20 0.43
MAOA P21397 9/20 0.43
MAOB P27338 9/20 0.43
HTR7 P34969 1/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.38

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
SCHEMBL5740932 0.82 AHR (0.55) MAOAMAOBHTR7CA9
SCHEMBL29754281 0.77 CA9 (0.62) MAOAMAOBKMT2AKDM4ELMNA
SCHEMBL4102521 0.77 CA9 (0.62) MAOAMAOBKMT2AKDM4ELMNA
SCHEMBL7505614 0.76 MAPT (0.59) KMT2AKDM4ELMNASMN1; SMN2CA9
SCHEMBL2625799 0.76 MAOA (0.55) MAOAMAOBHTR7
SCHEMBL5739472 0.75 PARP1 (0.39) DPP4MAOAMAOB
SCHEMBL1903261 0.75 DRD1 (0.50) MAOAMAOB
SCHEMBL12363785 0.74 MAOA (0.59) MAOAMAOBHTR7
SCHEMBL27554931 0.73 BRD4 (0.59)
SCHEMBL260027 0.72 AHR (0.61) MAOBKMT2AKDM4ELMNASMN1; SMN2

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 3 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 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 NR3C2 449/4885DPP4 419/4885MAOA 76/4885

“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.