SCHEMBL6040388

SCHEMBL6040388

NC(=O)C1CN(c2ccc([C@H]3CC[S@+]([O-])CC3)cc2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
F10 P00742 2/20 0.39
FADS1 O60427 2/20 0.34
PARP1 P09874 1/20 0.34
DGAT1 O75907 3/20 0.34

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
SCHEMBL6040387 1.00 MAOA (0.49) MAOAF10FADS1PARP1DGAT1
SCHEMBL3043386 1.00 MAOA (0.49) MAOAF10FADS1PARP1DGAT1
SCHEMBL3044472 1.00 MAOA (0.49) MAOAF10FADS1PARP1DGAT1
SCHEMBL3043385 1.00 MAOA (0.49) MAOAF10FADS1PARP1DGAT1
SCHEMBL5766169 0.90 F10 (0.41) MAOAF10FADS1DGAT1
SCHEMBL5763281 0.90 F10 (0.41) MAOAF10FADS1DGAT1
SCHEMBL5763275 0.90 F10 (0.41) MAOAF10FADS1DGAT1
SCHEMBL5792883 0.86 MAOA (0.46) MAOAF10FADS1PARP1DGAT1
SCHEMBL5792480 0.86 MAOA (0.46) MAOAF10FADS1PARP1DGAT1
SCHEMBL20990391 0.83 MAOA (0.43) MAOAF10FADS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049443-B2 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY (US) 2006-05-23 US disclosed
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY 2004-01-22 US 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-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 MAOA 1179/4885F10 2380/4885FADS1 318/4885

“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.