SCHEMBL312904

SCHEMBL312904

Cn1ccc2cc(N(Cc3cccc(S(N)(=O)=O)c3)C3CCNCC3)ccc21

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.73
SLC6A4 P31645 18/20 0.73
SLC6A3 Q01959 18/20 0.73
KCNH2 Q12809 2/20 0.37
CYP2D6 P10635 1/20 0.35
TP53 P04637 2/20 0.35

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
SCHEMBL312121 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL313005 0.83 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL312545 0.82 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3
SCHEMBL313206 0.80 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL312675 0.80 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL312300 0.79 SLC6A2 (0.83) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL314139 0.78 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL312244 0.73 SLC6A2 (0.85) SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL312498 0.72 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3
SCHEMBL313706 0.72 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US claimed
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
CN-101977904-A Aminopiperidinyl derivatives and uses thereof HOFFMANN LA ROCHE 2011-02-16 CN disclosed
EP-2268631-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009118254-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 WO disclosed
WO-2009118254-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 WO disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 US disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 US disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 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-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF MAOB, ADORA2B, HTR1B SLC6A2 8/4885SLC6A4 33/4885SLC6A3 28/4885

“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.