SCHEMBL4493804

SCHEMBL4493804

CC(C)(C)N(C(=O)O)[C@@H]1CCN(C(=O)C(c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.45
CACNA1B Q00975 3/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
NOTUM Q6P988 1/20 0.37
HSD11B1 P28845 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL4497752 1.00 SLC6A2 (0.45) SLC6A2CACNA1BUBE2MDCUN1D1NOTUM
SCHEMBL4512194 0.96 SLC6A2 (0.45) SLC6A2CACNA1BUBE2MDCUN1D1NOTUM
SCHEMBL4510883 0.96 SLC6A2 (0.45) SLC6A2CACNA1BUBE2MDCUN1D1NOTUM
SCHEMBL4503886 0.95 SLC6A2 (0.47) SLC6A2CACNA1BUBE2MDCUN1D1HSD11B1
SCHEMBL4498997 0.88 SLC6A2 (0.47) SLC6A2CACNA1B
SCHEMBL4499173 0.88 SLC6A2 (0.47) SLC6A2CACNA1B
SCHEMBL3954066 0.85 SLC6A2 (0.43) SLC6A2
SCHEMBL3953301 0.85 SLC6A2 (0.43) SLC6A2
SCHEMBL3960289 0.85 SLC6A2 (0.43) SLC6A2
SCHEMBL3959825 0.85 SLC6A2 (0.43) SLC6A2

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-7491723-B2 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2009-02-17 US disclosed
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2005-08-04 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-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use FAAH, HTR3A, MAOA SLC6A2 115/4885CACNA1B 1170/4885UBE2M 2597/4885

“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.