SCHEMBL1934810

SCHEMBL1934810

CCN(C(=O)CC1CCN(C)CC1)c1ccc(Br)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
ACHE P22303 1/20 0.34
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
CCR5 P51681 2/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
Fumaric Acid SCHEMBL2394308 0.94 PGR (0.35) PGRNOS3NOS1NOS2OPRM1
SCHEMBL1936307 0.91 PGR (0.36) PGRNOS3NOS1NOS2OPRM1
SCHEMBL2395603 0.90 CCR5 (0.41) PGROPRM1OPRD1OPRK1CCR5
SCHEMBL2391914 0.90 OPRM1 (0.38) NOS3NOS1NOS2OPRM1OPRD1
SCHEMBL1937163 0.89 HTR4 (0.41) PGRNOS3NOS1NOS2OPRM1
Hydrochloric Acid SCHEMBL2396854 0.88 OPRM1 (0.41) PGROPRM1OPRD1OPRK1CCR5
Fumaric Acid SCHEMBL1936311 0.85 DRD2 (0.35) PGROPRM1OPRD1OPRK1ACHE
SCHEMBL2396274 0.85 PDK1 (0.39) CYP3A4MEN1LMNAHPGDALOX15
Fumaric Acid SCHEMBL1937182 0.84 HTR4 (0.37) PGRNOS3NOS1NOS2OPRM1
Fumaric Acid SCHEMBL27834013 0.84 HTR4 (0.37) PGRNOS3NOS1NOS2OPRM1

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
CN-102131779-A Piperidine-4-acetamide derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS 2011-07-20 CN claimed
US-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-09-01 US disclosed
CN-102131779-A Piperidine-4-acetamide derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS 2011-07-20 CN disclosed
EP-2331505-A2 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2011-06-15 EP disclosed
WO-2010023197-A2 NOVEL PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-03-04 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-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 PGR 2155/4885NOS3 852/4885NOS1 704/4885

“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.