SCHEMBL312588

SCHEMBL312588

N#Cc1cccc(CN(c2ccc3sc(C(N)=O)cc3c2)C2CCNCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.59
SLC6A4 P31645 14/20 0.59
SLC6A3 Q01959 14/20 0.59
CLK1 P49759 2/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CCR5 P51681 3/20 0.39
KCNH2 Q12809 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL312720 0.89 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3CLK1DYRK1A
SCHEMBL10109377 0.88 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3CLK1DYRK1A
SCHEMBL312403 0.81 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3KCNH2
Trifluoroacetic Acid SCHEMBL313043 0.79 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CCR5KCNH2
SCHEMBL312406 0.77 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3
SCHEMBL4240060 0.76 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CCR5KCNH2
SCHEMBL314091 0.75 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL312774 0.74 SLC6A4 (0.74) SLC6A2SLC6A4SLC6A3KDM1A
Trifluoroacetic Acid SCHEMBL312576 0.73 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3
SCHEMBL313212 0.73 SLC6A2 (0.77) 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 7 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
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.