SCHEMBL13712841

SCHEMBL13712841

OC1([C@H](CN2CCN(Cc3ccccc3)CC2)c2cccc(OC(F)(F)F)c2)CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.77
SLC6A4 P31645 2/20 0.58

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
SCHEMBL14082147 0.89 SLC6A2 (0.84) SLC6A2SLC6A4
SCHEMBL4367567 0.87 SLC6A2 (0.71) SLC6A2SLC6A4
SCHEMBL4885001 0.87 SLC6A2 (0.76) SLC6A2SLC6A4
SCHEMBL4626427 0.87 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL4625301 0.87 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL3960937 0.87 SLC6A2 (1.00) SLC6A2SLC6A4
SCHEMBL4365266 0.87 SLC6A2 (0.77) SLC6A2SLC6A4
SCHEMBL4371781 0.87 SLC6A2 (0.77) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3954934 0.86 SLC6A2 (0.71) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3960306 0.86 SLC6A2 (1.00) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2009-09-10 US disclosed
US-7550485-B2 Substituted N-heterocycle derivatives and methods of their use WYETH (US) 2009-06-23 US disclosed
US-7491723-B2 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2009-02-17 US disclosed
US-7365076-B2 Substituted aryl cycloalkanol derivatives and methods of their use WYETH (US) 2008-04-29 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-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA SLC6A2 71/4885SLC6A4 44/4885

“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.