SCHEMBL5740932

SCHEMBL5740932

CN1CCc2ccc(Cl)cc2NC(=O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.55
CMA1 P23946 1/20 0.55
MAOB P27338 6/20 0.43
MAOA P21397 5/20 0.43
GHSR Q92847 1/20 0.41
HTR7 P34969 1/20 0.41
AKR1C3 P42330 1/20 0.41
ATM Q13315 1/20 0.40
OTUD7B Q6GQQ9 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CYP2C19 P33261 1/20 0.40
DRD3 P35462 1/20 0.40
HTR6 P50406 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL5741004 0.82 NR3C2 (0.45) MAOBMAOAHTR7CA9
SCHEMBL5102001 0.79 AHR (0.55) AHRCMA1MAOBMAOAAKR1C3
SCHEMBL29754265 0.77 AHR (0.70) AHRCMA1MAOBMAOACA9
SCHEMBL2395389 0.77 AHR (0.70) AHRCMA1MAOBMAOACA9
SCHEMBL5107807 0.77 AHR (0.60) AHRCMA1MAOBMAOAGHSR
SCHEMBL29991420 0.76 MAOA (0.55) MAOBMAOADRD2HTR2AHTR2C
SCHEMBL2625798 0.76 MAOA (0.55) MAOBMAOADRD2HTR2AHTR2C
SCHEMBL5739304 0.75 DRD2 (0.41) AHRCMA1CYP1A2CYP3A4CYP2D6
SCHEMBL160943 0.75 HTR2A (0.55) MAOBMAOACYP1A2CYP3A4CYP2D6
SCHEMBL9405611 0.74 AHR (0.66) AHRCMA1MAOBCA9

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 AHR 331/4885CMA1 1100/4885MAOB 163/4885

“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.