SCHEMBL2391914

SCHEMBL2391914

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GSK3B P49841 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ACHE P22303 1/20 0.34
KDM2B Q8NHM5 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL1937050 0.93 OPRM1 (0.35) OPRM1OPRD1OPRK1CHRM4CHRM5
SCHEMBL1936307 0.90 PGR (0.36) OPRM1OPRD1OPRK1NOS3NOS1
SCHEMBL1934810 0.90 PGR (0.39) OPRM1OPRD1OPRK1NOS3NOS1
SCHEMBL2398928 0.84 MAOB (0.38) OPRD1CHRM1MEN1ALDH1A1KMT2A
Fumaric Acid SCHEMBL1936311 0.84 DRD2 (0.35) OPRM1OPRD1OPRK1ACHEALDH1A1
Fumaric Acid SCHEMBL2394308 0.84 PGR (0.35) OPRM1OPRD1OPRK1NOS3NOS1
SCHEMBL2395603 0.83 CCR5 (0.41) OPRM1OPRD1OPRK1CHRM3
Hydrochloric Acid SCHEMBL2396854 0.82 OPRM1 (0.41) OPRM1OPRD1OPRK1CHRM3
SCHEMBL2396182 0.81 CYP3A4 (0.44) OPRM1
SCHEMBL2395522 0.80 CYP1A2 (0.46) OPRM1OPRD1OPRK1MEN1ALDH1A1

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 3 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
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
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 OPRM1 186/4885OPRD1 200/4885OPRK1 304/4885

“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.