SCHEMBL3752863

SCHEMBL3752863

COc1ccc2c(c1)CC(NC(=S)NCCOC(C)=O)CC2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.64
MTNR1B P49286 4/20 0.64
ACHE P22303 5/20 0.57
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
DRD2 P14416 4/20 0.52
DRD3 P35462 3/20 0.52
DRD4 P21917 2/20 0.47
NQO2 P16083 3/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3748926 0.85 MTNR1A (0.61) MTNR1AMTNR1BACHECA1CA2
SCHEMBL3223002 0.82 MTNR1A (0.52) MTNR1AMTNR1BNQO2
SCHEMBL3752870 0.79 ACHE (0.65) MTNR1AMTNR1BACHECA1CA2
SCHEMBL3854031 0.79 MTNR1A (1.00) MTNR1AMTNR1BACHECA1CA2
SCHEMBL3751372 0.75 MTNR1A (0.49) MTNR1AMTNR1BACHECA1CA2
SCHEMBL3975748 0.74 MTNR1A (0.90) MTNR1AMTNR1BACHECA1CA2
SCHEMBL6523015 0.72 MTNR1A (0.68) MTNR1AMTNR1BACHECA1CA2
SCHEMBL5526850 0.72 MTNR1A (0.68) MTNR1AMTNR1BACHECA1CA2
SCHEMBL8765743 0.72 MTNR1A (0.85) MTNR1AMTNR1BACHECA1CA2
SCHEMBL8765749 0.72 MTNR1A (0.85) MTNR1AMTNR1BACHECA1CA2

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 2479/4885ACHE 67/4885

“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.