SCHEMBL2394314

SCHEMBL2394314

CCCN(C(=O)CC1CCNCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.46
TACR1 P25103 4/20 0.46
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
SLC6A2 P23975 9/20 0.43
SLC6A3 Q01959 9/20 0.43
PDK1 Q15118 1/20 0.40
TP53 P04637 1/20 0.40
KCNH2 Q12809 1/20 0.39
CHRM1 P11229 2/20 0.39
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37

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 SCHEMBL1935056 0.94 SLC6A4 (0.42) SLC6A4TACR1PRMT5WDR77SLC6A2
SCHEMBL1937045 0.90 SLC6A4 (0.47) SLC6A4TACR1PRMT5WDR77SLC6A2
Hydrochloric Acid SCHEMBL1936328 0.89 SLC6A4 (0.47) SLC6A4TACR1PRMT5WDR77SLC6A2
SCHEMBL1937232 0.88 SLC6A4 (0.44) SLC6A4TACR1PRMT5WDR77SLC6A2
SCHEMBL2393607 0.85 PGR (0.43) TP53CHRM3
Fumaric Acid SCHEMBL1937241 0.83 SLC6A4 (0.43) SLC6A4TACR1SLC6A2SLC6A3PDK1
SCHEMBL1935898 0.83 SLC6A4 (0.49) SLC6A4TACR1PRMT5WDR77SLC6A2
Hydrochloric Acid SCHEMBL1936274 0.81 SLC6A4 (0.48) SLC6A4TACR1PRMT5WDR77SLC6A2
SCHEMBL3039337 0.81 PDK1 (0.48) SLC6A4TACR1PRMT5WDR77SLC6A2
SCHEMBL1936078 0.80 PDK1 (0.41) SLC6A4TACR1PRMT5WDR77SLC6A2

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 SLC6A4 4/4885TACR1 131/4885PRMT5 423/4885

“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.