SCHEMBL1935823

SCHEMBL1935823

CCN(C(=O)C(/C(=C\C(=O)O)C(=O)O)C1CCNCC1)c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.41
SLC6A4 P31645 15/20 0.41
SLC6A3 Q01959 8/20 0.41
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
OPRD1 P41143 1/20 0.33
GAA P10253 1/20 0.33
MCOLN3 Q8TDD5 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
SCHEMBL1936205 0.92 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1935981 0.89 HTR2A (0.36) CYP3A4KDM4EALDH1A1POLBNPSR1
SCHEMBL1936050 0.87 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1936481 0.84 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1937054 0.83 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL1936508 0.81 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL1936566 0.81 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3OPRD1
SCHEMBL1936656 0.81 HTR2A (0.34) SLC6A2SLC6A4KDM4EALDH1A1NPSR1
SCHEMBL1935057 0.78 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL1934764 0.78 OPRD1 (0.34) SLC6A2SLC6A4SLC6A3OPRD1

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-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-09-01 US 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

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 SLC6A2 2/4885SLC6A4 4/4885SLC6A3 8/4885

“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.