SCHEMBL3035355

SCHEMBL3035355

CCC(=O)N(CC1CCNCC1)c1ccc2cc(O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.43
SLC6A2 P23975 5/20 0.43
SLC6A3 Q01959 4/20 0.43
KCNH2 Q12809 3/20 0.43
PDK1 Q15118 3/20 0.42
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
OPRD1 P41143 4/20 0.35
OPRM1 P35372 1/20 0.33
MELK Q14680 1/20 0.33
ACHE P22303 1/20 0.33
CTSD P07339 1/20 0.33
CTSE P14091 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
Trifluoroacetic Acid SCHEMBL3042529 0.93 OPRD1 (0.41) SLC6A4SLC6A2SLC6A3KCNH2PDK1
SCHEMBL3033983 0.86 ALDH1A1 (0.42) SLC6A4SLC6A2SLC6A3KCNH2OPRM1
SCHEMBL3041213 0.82 CACNA1B (0.46) SLC6A4SLC6A2SLC6A3KCNH2OPRM1
SCHEMBL3039337 0.81 PDK1 (0.48) SLC6A4SLC6A2SLC6A3KCNH2PDK1
Trifluoroacetic Acid SCHEMBL3032309 0.80 OPRM1 (0.40) SLC6A4SLC6A2SLC6A3KCNH2OPRD1
SCHEMBL3033986 0.79 OPRM1 (0.49) PDK1OPRD1OPRM1
SCHEMBL3032506 0.79 OPRM1 (0.50) SLC6A4SLC6A2SLC6A3PDK1OPRD1
SCHEMBL3029377 0.79 PDK1 (0.48) SLC6A4SLC6A2PDK1OPRD1OPRM1
SCHEMBL3035361 0.78 OPRD1 (0.50) SLC6A4SLC6A2SLC6A3KCNH2OPRD1
Trifluoroacetic Acid SCHEMBL3032574 0.78 CACNA1B (0.42) SLC6A4SLC6A2SLC6A3KCNH2OPRD1

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 SLC6A4 5/4885SLC6A2 2/4885SLC6A3 11/4885

“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.