SCHEMBL2398928

SCHEMBL2398928

CCN(C(=O)CC1CCNCC1)c1ccc(Br)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
EP300 Q09472 1/20 0.37
PDK1 Q15118 1/20 0.35
SLC6A4 P31645 4/20 0.34
MAOA P21397 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 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 SCHEMBL1934760 0.93 SLC6A4 (0.38) MAOBSLC6A4SLC6A2SLC6A3
SCHEMBL1936078 0.89 PDK1 (0.41) MAOBPDK1SLC6A4SLC6A2SLC6A3
SCHEMBL2396274 0.89 PDK1 (0.39) MAOBPDK1SLC6A4MEN1KMT2A
SCHEMBL2391914 0.84 OPRM1 (0.38) MEN1KMT2AALDH1A1CHRM1OPRD1
Fumaric Acid SCHEMBL1936564 0.84 SLC6A4 (0.39) PDK1SLC6A4SLC6A2SLC6A3TACR1
Fumaric Acid SCHEMBL1936506 0.84 SLC6A4 (0.41) PDK1SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL1937045 0.82 SLC6A4 (0.47) PDK1SLC6A4SLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL1936328 0.81 SLC6A4 (0.47) PDK1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL1934755 0.81 CYP3A4 (0.45) PDK1SLC6A4SLC6A2SLC6A3CHRM1
Hydrochloric Acid SCHEMBL1936277 0.80 CYP3A4 (0.44) PDK1SLC6A4SLC6A2SLC6A3CHRM1

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 MAOB 10/4885EP300 971/4885PDK1 1242/4885

“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.