SCHEMBL3748926

SCHEMBL3748926

COc1ccc2c(c1)CC(NC(=S)NCCO)CC2

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.61
MTNR1B P49286 2/20 0.61
DRD2 P14416 6/20 0.58
DRD3 P35462 5/20 0.58
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
ACHE P22303 4/20 0.58
DRD4 P21917 4/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
LMNA P02545 2/20 0.44
HTR2C P28335 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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 0.85 MTNR1A (0.64) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL3754299 0.80 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2GRIN2B
SCHEMBL3854031 0.76 MTNR1A (1.00) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL4442464 0.74 ACHE (0.70) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL8056611 0.74 DRD2 (0.68) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL8056606 0.74 DRD2 (0.68) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL8056603 0.74 DRD2 (0.68) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL2701521 0.74 DRD2 (1.00) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL2702018 0.74 DRD2 (1.00) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL8394614 0.74 DRD2 (1.00) MTNR1AMTNR1BDRD2DRD3CA1

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 2479/4885DRD2 2130/4885

“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.