SCHEMBL3754302

SCHEMBL3754302

O=C(NC1CCc2ccccc2C1)N(S)CCO

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.59
MTNR1B P49286 4/20 0.59
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
ACHE P22303 6/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
GRIN2B Q13224 2/20 0.43

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 0.81 ACHE (0.70) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3219949 0.79 ALDH1A1 (0.53)
SCHEMBL3210493 0.75 ALDH1A1 (0.62)
SCHEMBL53322 0.75 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2MAPT
SCHEMBL30612411 0.74 MTNR1A (0.73) MTNR1AMTNR1BCA1CA2MAOA
SCHEMBL9851515 0.74 MTNR1A (0.73) MTNR1AMTNR1BCA1CA2MAOA
SCHEMBL3897095 0.72 MTNR1A (0.71) MTNR1AMTNR1BCA1CA2MAOA
SCHEMBL1970411 0.72 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2MAOA
SCHEMBL1970413 0.72 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2MAOA
SCHEMBL2597383 0.72 MTNR1A (1.00) MTNR1AMTNR1BMAPTMAOAMAOB

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 2479/4885CA1 2984/4885

“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.