SCHEMBL312505

SCHEMBL312505

CC(C)(C)OC(=O)N1CCC(N(Cc2cccc(C(=O)O)c2)c2ccc3sccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
GPR119 Q8TDV5 8/20 0.45
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
STS P08842 1/20 0.40
PGR P06401 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL312055 0.90 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL312512 0.86 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL10102911 0.83 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3MRGPRX4PGR
SCHEMBL312649 0.81 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3MRGPRX4
Trifluoroacetic Acid SCHEMBL313832 0.78 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3MRGPRX4
SCHEMBL312934 0.76 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL312781 0.76 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL312092 0.75 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL312862 0.75 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL28790065 0.74 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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 5 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
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

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.