SCHEMBL2545951

SCHEMBL2545951

CCN(C(=O)CCCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
GPR119 Q8TDV5 15/20 0.45
TGFBR1 P36897 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
STS P08842 1/20 0.42

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
SCHEMBL1936860 0.94 TGFBR1 (0.43) FAAHGPR119TGFBR1MEN1KMT2A
SCHEMBL1936320 0.89 TGFBR1 (0.44) GPR119TGFBR1MEN1KMT2ASTS
SCHEMBL2541058 0.85 CCR5 (0.41)
SCHEMBL3397674 0.84 PTPRB (0.48) MEN1KMT2ASTS
Fumaric Acid SCHEMBL2548804 0.80 CCR5 (0.38)
SCHEMBL2544643 0.79 SLC6A4 (0.47) FAAH
SCHEMBL1937237 0.78 HTR4 (0.43)
SCHEMBL2539468 0.77 GPR119 (0.67) FAAHGPR119MEN1KMT2A
Fumaric Acid SCHEMBL2548144 0.74 SLC6A4 (0.43)
SCHEMBL2452509 0.74 CCR3 (0.52) GPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263651-A1 NOVEL PIPERIDINE-BUTYRAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-10-27 US disclosed
WO-2010060852-A1 NOVEL PIPERIDINE-BUTYRAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-06-03 WO 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-20110263651-A1 NOVEL PIPERIDINE-BUTYRAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 FAAH 149/4885GPR119 373/4885TGFBR1 3445/4885

“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.