SCHEMBL1936263

SCHEMBL1936263

CCN(C(=O)C(/C(=C\C(=O)O)C(=O)O)C1CCN(C)CC1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNA1C Q13936 1/20 0.38
CYP3A4 P08684 1/20 0.36
HRH1 P35367 1/20 0.36
CNR2 P34972 1/20 0.35
HTR2A P28223 1/20 0.34
PTGIR P43119 1/20 0.33
GHSR Q92847 1/20 0.33
PKM P14618 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
MAPT P10636 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
SCHEMBL1935963 0.90 CACNA2D1 (0.32) CACNA2D1CACNA1BCACNB1CACNA1CHRH1
SCHEMBL2396813 0.88 CCR5 (0.38) CYP3A4GHSR
SCHEMBL1936313 0.86 NOS3 (0.32)
SCHEMBL2394311 0.86 NOS3 (0.34)
SCHEMBL1936656 0.86 HTR2A (0.34) CACNA2D1CACNA1BCACNB1CACNA1CHRH1
SCHEMBL1935981 0.86 HTR2A (0.36) CACNA2D1CACNA1BCACNB1CACNA1CCYP3A4
SCHEMBL1937052 0.85 NOS3 (0.32)
SCHEMBL2396774 0.84 OPRM1 (0.36) CACNA2D1CACNA1BCACNB1CACNA1CHRH1
SCHEMBL2395185 0.83 HTR1D (0.32) CACNA2D1CACNA1BCACNB1CACNA1CGHSR
SCHEMBL2410809 0.82 KDM2B (0.40) KDM2B

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 CACNA2D1 1285/4885CACNA1B 406/4885CACNB1 1383/4885

“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.