SCHEMBL3751372

SCHEMBL3751372

CC(=O)OC(C)(C)C(=O)OCCNC(=S)NC1CCc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.49
MTNR1B P49286 7/20 0.49
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TAOK3 Q9H2K8 3/20 0.38
TAOK1 Q7L7X3 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2B Q13224 1/20 0.37
ACHE P22303 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ADORA2A P29274 1/20 0.36

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
SCHEMBL3752863 0.75 MTNR1A (0.64) MTNR1AMTNR1BGRIN2BACHECA1
SCHEMBL3754299 0.74 MTNR1A (0.56) MTNR1AMTNR1BMAOAMAOBKMT2A
SCHEMBL3219313 0.74 MEN1 (0.52) TAOK3TAOK1KMT2A
SCHEMBL3219310 0.74 MEN1 (0.52) TAOK3TAOK1KMT2A
SCHEMBL28684223 0.69 MTNR1A (0.62) MTNR1AMTNR1BMAOAMAOBPOLB
SCHEMBL29433088 0.69 MTNR1A (0.62) MTNR1AMTNR1BMAOAMAOBPOLB
SCHEMBL1970413 0.68 MTNR1A (1.00) MTNR1AMTNR1BMAOAMAOBGRIN2B
SCHEMBL1970411 0.68 MTNR1A (1.00) MTNR1AMTNR1BMAOAMAOBGRIN2B
SCHEMBL29565539 0.68 MTNR1A (0.66) MTNR1AMTNR1BMAOAMAOBKMT2A
SCHEMBL3682479 0.68 MTNR1A (0.66) MTNR1AMTNR1BMAOAMAOBKMT2A

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
US-20100298138-A1 Aminoazoline and Urea Derivatives for Combating Animal Pests BASF SE (DE) 2010-11-25 US disclosed
EP-2120576-A2 AMINOAZOLINE AND UREA DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2009-11-25 EP disclosed
WO-2008145615-A2 AMINOAZOLINE AND UREA DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-12-04 WO 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-20100298138-A1 Aminoazoline and Urea Derivatives for Combating Animal Pests AADAT, INMT, SLC14A1 MTNR1A 3214/4885MTNR1B 2479/4885MAOA 1544/4885

“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.