SCHEMBL3039337

SCHEMBL3039337

CCC(=O)N(CC1CCNCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.48
SLC6A4 P31645 10/20 0.47
TACR1 P25103 4/20 0.47
SLC6A2 P23975 9/20 0.46
SLC6A3 Q01959 8/20 0.46
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
KCNH2 Q12809 1/20 0.41
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL3029533 0.92 TACR1 (0.46) PDK1SLC6A4TACR1SLC6A2SLC6A3
SCHEMBL3029498 0.87 PDK1 (0.50) PDK1SLC6A4TACR1SLC6A2SLC6A3
SCHEMBL3035854 0.87 SLC6A4 (0.50) PDK1SLC6A4TACR1SLC6A2SLC6A3
SCHEMBL3029377 0.86 PDK1 (0.48) PDK1SLC6A4SLC6A2CHRM1CHRM2
SCHEMBL3038014 0.84 OPRD1 (0.43) SLC6A4SLC6A2SLC6A3CHRM3
SCHEMBL3033064 0.84 CHRM1 (0.48) PDK1SLC6A4TACR1SLC6A2SLC6A3
SCHEMBL1937045 0.82 SLC6A4 (0.47) PDK1SLC6A4TACR1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL1936328 0.81 SLC6A4 (0.47) PDK1SLC6A4TACR1SLC6A2SLC6A3
SCHEMBL3032506 0.81 OPRM1 (0.50) PDK1SLC6A4TACR1SLC6A2SLC6A3
SCHEMBL2394314 0.81 SLC6A4 (0.46) PDK1SLC6A4TACR1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204275-A1 N-PIPERIDIN-4-YLMETHYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-08-12 US claimed
US-20100204275-A1 N-PIPERIDIN-4-YLMETHYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-08-12 US 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-20100204275-A1 N-PIPERIDIN-4-YLMETHYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 PDK1 1813/4885SLC6A4 5/4885TACR1 116/4885

“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.