SCHEMBL3039335

SCHEMBL3039335

O=C(COC(=O)C(F)(F)F)N(CC1CCNCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.49
SLC6A4 P31645 6/20 0.44
PDK1 Q15118 1/20 0.41
CHRM1 P11229 3/20 0.40
CHRM2 P08172 2/20 0.40
CHRM3 P20309 2/20 0.40
SLC6A2 P23975 5/20 0.39
SLC6A3 Q01959 5/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 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
Trifluoroacetic Acid SCHEMBL3029477 0.86 TACR1 (0.48) TACR1SLC6A4PDK1CHRM1CHRM2
SCHEMBL3035854 0.84 SLC6A4 (0.50) TACR1SLC6A4PDK1CHRM1CHRM2
Trifluoroacetic Acid SCHEMBL3029533 0.82 TACR1 (0.46) TACR1SLC6A4PDK1CHRM1CHRM2
SCHEMBL3039337 0.80 PDK1 (0.48) TACR1SLC6A4PDK1CHRM1CHRM2
Trifluoroacetic Acid SCHEMBL3039331 0.80 TACR1 (0.45) TACR1SLC6A4PDK1CHRM1CHRM2
SCHEMBL3029480 0.79 TACR1 (0.42) TACR1SLC6A4PDK1CHRM1CHRM2
SCHEMBL3029498 0.77 PDK1 (0.50) TACR1SLC6A4PDK1CHRM1CHRM2
SCHEMBL1313460 0.76 HTR4 (0.45) TACR1SLC6A4PDK1SLC6A2SLC6A3
SCHEMBL3008298 0.72 USP30 (0.38) TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL1937662 0.71 SLC6A4 (0.46) TACR1SLC6A4PDK1CHRM1SLC6A2

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 1 patent. 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 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 TACR1 116/4885SLC6A4 5/4885PDK1 1813/4885

“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.