SCHEMBL1936656

SCHEMBL1936656

CCN(C(=O)C(/C(=C\C(=O)O)C(=O)O)C1CCN(C)CC1)c1cc(Cl)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
LMNA P02545 3/20 0.34
TP53 P04637 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
NOS3 P29474 4/20 0.33
NOS1 P29475 4/20 0.33
NOS2 P35228 4/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL1935981 0.92 HTR2A (0.36) HTR2AHRH4HRH3CACNA2D1CACNA1B
SCHEMBL1936205 0.89 SLC6A2 (0.41) SLC6A2SLC6A4
SCHEMBL2395185 0.87 HTR1D (0.32) TSHRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL1936263 0.86 CACNA2D1 (0.38) HTR2ACACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL1934766 0.85 HTR1D (0.37) HTR2ATSHRCACNA2D1CACNA1BCACNB1
SCHEMBL2396813 0.85 CCR5 (0.38) LMNATSHRHTTSMN1; SMN2KDM4E
SCHEMBL1935963 0.84 CACNA2D1 (0.32) HTR2ACACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2396774 0.83 OPRM1 (0.36) TP53TSHRCACNA2D1CACNA1BCACNB1
SCHEMBL1936313 0.83 NOS3 (0.32) NOS3NOS1NOS2KDM4E
SCHEMBL2394311 0.81 NOS3 (0.34) NOS3NOS1NOS2KDM4E

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 HTR2A 35/4885LMNA 4412/4885TP53 4874/4885

“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.