SCHEMBL3752870

SCHEMBL3752870

COc1ccc2c(c1)CC(NC(=O)N(S)CCOC(C)=O)CC2

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.65
CA1 P00915 7/20 0.65
CA2 P00918 7/20 0.65
MTNR1A P48039 3/20 0.62
MTNR1B P49286 1/20 0.62
DRD2 P14416 7/20 0.48
DRD3 P35462 6/20 0.48
DRD4 P21917 4/20 0.46

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
SCHEMBL4442464 0.88 ACHE (0.70) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL3223009 0.83 MTNR1A (0.47) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL3752863 0.79 MTNR1A (0.64) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL3854031 0.78 MTNR1A (1.00) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL3975748 0.73 MTNR1A (0.90) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL8765743 0.71 MTNR1A (0.85) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL8765749 0.71 MTNR1A (0.85) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL7210331 0.70 CA1 (0.70) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL7337809 0.70 CA1 (0.70) ACHECA1CA2MTNR1AMTNR1B
SCHEMBL11009077 0.70 DRD2 (0.67) ACHECA1CA2MTNR1AMTNR1B

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 ACHE 67/4885CA1 2984/4885CA2 2001/4885

“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.