SCHEMBL1936307

SCHEMBL1936307

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
OPRM1 P35372 3/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ACHE P22303 1/20 0.34
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CCR5 P51681 1/20 0.34
CYP3A4 P08684 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
HRH3 Q9Y5N1 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 SCHEMBL1936311 0.94 DRD2 (0.35) PGROPRM1OPRD1OPRK1ACHE
SCHEMBL1934810 0.91 PGR (0.39) PGROPRM1OPRD1OPRK1NOS3
SCHEMBL2391914 0.90 OPRM1 (0.38) OPRM1OPRD1OPRK1NOS3NOS1
SCHEMBL2395603 0.90 CCR5 (0.41) PGROPRM1OPRD1OPRK1CCR5
Hydrochloric Acid SCHEMBL2396854 0.88 OPRM1 (0.41) PGROPRM1OPRD1OPRK1CCR5
Fumaric Acid SCHEMBL2394308 0.85 PGR (0.35) PGROPRM1OPRD1OPRK1NOS3
SCHEMBL1936078 0.85 PDK1 (0.41) CYP3A4
Fumaric Acid SCHEMBL1937050 0.84 OPRM1 (0.35) OPRM1OPRD1OPRK1ACHE
SCHEMBL2396182 0.83 CYP3A4 (0.44) OPRM1CYP3A4
SCHEMBL2395522 0.81 CYP1A2 (0.46) OPRM1OPRD1OPRK1KDM4ECCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-09-01 US claimed
CN-102131779-A Piperidine-4-acetamide derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH AS 2011-07-20 CN claimed
EP-2331505-A2 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2011-06-15 EP claimed
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 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 2155/4885OPRM1 186/4885OPRD1 200/4885

“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.