SCHEMBL1936078

SCHEMBL1936078

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
SLC6A4 P31645 9/20 0.39
TACR1 P25103 4/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
SLC6A2 P23975 8/20 0.38
SLC6A3 Q01959 6/20 0.38
MAOB P27338 1/20 0.36
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34
CHRM1 P11229 2/20 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 SCHEMBL1936506 0.94 SLC6A4 (0.41) PDK1SLC6A4TACR1PRMT5WDR77
SCHEMBL2396274 0.91 PDK1 (0.39) PDK1SLC6A4TACR1PRMT5WDR77
SCHEMBL2398928 0.89 MAOB (0.38) PDK1SLC6A4TACR1SLC6A2SLC6A3
SCHEMBL1937045 0.89 SLC6A4 (0.47) PDK1SLC6A4TACR1PRMT5WDR77
Hydrochloric Acid SCHEMBL1936328 0.88 SLC6A4 (0.47) PDK1SLC6A4TACR1PRMT5WDR77
SCHEMBL1936307 0.85 PGR (0.36) CYP3A4
Fumaric Acid SCHEMBL1936564 0.85 SLC6A4 (0.39) PDK1SLC6A4TACR1SLC6A2SLC6A3
Fumaric Acid SCHEMBL1934760 0.83 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3MAOB
SCHEMBL1934755 0.83 CYP3A4 (0.45) PDK1SLC6A4SLC6A2SLC6A3CYP3A4
Hydrochloric Acid SCHEMBL1936277 0.82 CYP3A4 (0.44) PDK1SLC6A4SLC6A2SLC6A3CYP3A4

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 PDK1 1242/4885SLC6A4 4/4885TACR1 131/4885

“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.