SCHEMBL4510883

SCHEMBL4510883

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.45
NOTUM Q6P988 1/20 0.36
GCGR P47871 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
USP30 Q70CQ3 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
CACNA1B Q00975 1/20 0.34
RORC P51449 1/20 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
SCHEMBL4512194 1.00 SLC6A2 (0.45) SLC6A2NOTUMGCGRUBE2MDCUN1D1
SCHEMBL4493804 0.96 SLC6A2 (0.45) SLC6A2NOTUMUBE2MDCUN1D1CACNA1B
SCHEMBL4497752 0.96 SLC6A2 (0.45) SLC6A2NOTUMUBE2MDCUN1D1CACNA1B
SCHEMBL4503886 0.91 SLC6A2 (0.47) SLC6A2UBE2MDCUN1D1FFAR4CACNA1B
SCHEMBL4565202 0.85 CHRM3 (0.41) SLC6A2NOTUMUBE2MDCUN1D1USP30
SCHEMBL4498997 0.84 SLC6A2 (0.47) SLC6A2CACNA1B
SCHEMBL4499173 0.84 SLC6A2 (0.47) SLC6A2CACNA1B
SCHEMBL3952527 0.82 SLC6A2 (0.45) SLC6A2NOTUMFFAR4
SCHEMBL3955180 0.82 SLC6A2 (0.45) SLC6A2NOTUMFFAR4
SCHEMBL27681953 0.82 SLC6A2 (0.45) SLC6A2NOTUMFFAR4USP30

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 115/4885NOTUM 1149/4885GCGR 861/4885

“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.