SCHEMBL5661000

SCHEMBL5661000

C#CCN1C(=O)Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
HTR7 P34969 12/20 0.49
HPGD P15428 1/20 0.46
DRD2 P14416 3/20 0.46
DRD5 P21918 2/20 0.46
DRD3 P35462 2/20 0.46
DRD4 P21917 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
NOTUM Q6P988 1/20 0.44

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
Methane SCHEMBL29165350 0.98 HTR1A (0.49) HTR1AMAOAMAOBHTR7HPGD
SCHEMBL9378395 0.85 POLB (0.59) MAOAMAOBDRD2DRD3DRD4
SCHEMBL28963619 0.79 MAOA (0.42) HTR1AMAOAMAOBHTR7HPGD
SCHEMBL7168528 0.78 HTR2A (0.50) HTR1AMAOAMAOBHTR7DRD2
SCHEMBL5394439 0.77 HTR7 (0.53) HTR1AHTR7HPGDDRD2DRD5
SCHEMBL2954869 0.77 HTR7 (0.53) HTR1AHTR7HPGDDRD2DRD5
SCHEMBL30382092 0.77 HTR7 (0.53) HTR1AHTR7HPGDDRD2DRD5
SCHEMBL5113192 0.77 HTR7 (0.53) HTR1AHTR7HPGDDRD2DRD5
SCHEMBL28279911 0.77 HTR7 (0.53) HTR1AHTR7HPGDDRD2DRD5
SCHEMBL27451951 0.77 HTR7 (0.53) HTR1AHTR7HPGDDRD2DRD5

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
CN-117342995-A Chiral 3-quaternary carbon propargyl oxindole compound and asymmetric preparation method thereof 安徽大学 2024-01-05 CN claimed
CN-117342995-A Chiral 3-quaternary carbon propargyl oxindole compound and asymmetric preparation method thereof 安徽大学 2024-01-05 CN disclosed
CN-117342995-A Chiral 3-quaternary carbon propargyl oxindole compound and asymmetric preparation method thereof 安徽大学 2024-01-05 CN disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-20050054712-A1 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2005-03-10 US disclosed
EP-0320992-B1 Triazolodiazepine derivatives HOFFMANN LA ROCHE (CH) 1994-07-27 EP disclosed
US-4959361-A Triazolo(4,3-A)(1,4)benzodiazepines and thieno (3,2-F)(1,2,4)triazolo(4,3-A)(1,4)diazepine compounds which have useful activity as platelet activating factor (PAF) antagonists HOFFMANN-LA ROCHE INC. (US) 1990-09-25 US disclosed
EP-0320992-A2 Triazolodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-06-21 EP 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-20050054712-A1 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators NR3C2, NR5A1, NR5A2 HTR1A 963/4885MAOA 3697/4885MAOB 3694/4885

“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.