SCHEMBL4564644

SCHEMBL4564644

CC(C)(C)N(C(=O)O)C1CCN(CC(c2cccc(C(F)(F)F)c2)C2(O)CCCCC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.66
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 3/20 0.46

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
SCHEMBL3956240 0.88 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL13712162 0.86 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3956988 0.85 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3
SCHEMBL3951032 0.85 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL3960491 0.84 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL3956973 0.84 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL4500522 0.83 SLC6A2 (0.48) SLC6A2SLC6A4
SCHEMBL3955264 0.83 SLC6A2 (0.66) SLC6A2SLC6A4
SCHEMBL4706630 0.82 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3
SCHEMBL4704874 0.82 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3

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 115/4885SLC6A4 82/4885SLC6A3 149/4885

“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.