SCHEMBL312413

SCHEMBL312413

c1ccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 1.00
SLC6A4 P31645 18/20 1.00
SLC6A3 Q01959 18/20 1.00
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
CYP2D6 P10635 2/20 0.44

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
Trifluoroacetic Acid SCHEMBL27823451 0.91 SLC6A2 (0.83) SLC6A2SLC6A4SLC6A3ROCK2ROCK1
SCHEMBL312948 0.89 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL313212 0.87 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL312587 0.86 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3ROCK2ROCK1
Trifluoroacetic Acid SCHEMBL313182 0.84 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3ROCK2ROCK1
SCHEMBL313998 0.81 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL313722 0.81 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3ROCK2ROCK1
SCHEMBL3315032 0.79 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3
SCHEMBL313966 0.79 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3
SCHEMBL13122101 0.79 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3ROCK2ROCK1

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 9 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 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
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.