SCHEMBL2396774

SCHEMBL2396774

CCN(C(=O)C(/C(=C\C(=O)O)C(=O)O)C1CCN(C)CC1)c1c(Cl)cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
KDM4E B2RXH2 3/20 0.34
CACNA2D1 P54289 2/20 0.33
CACNA1B Q00975 2/20 0.33
CACNB1 Q02641 2/20 0.33
CACNA1C Q13936 2/20 0.33
TSHR P16473 1/20 0.33
GHSR Q92847 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOTUM Q6P988 1/20 0.32
TP53 P04637 1/20 0.32
CCR8 P51685 1/20 0.32
HRH1 P35367 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL1934766 0.89 HTR1D (0.37) OPRM1ALDH1A1HTR1DHTR1BKDM4E
SCHEMBL1937054 0.88 SLC6A2 (0.38)
SCHEMBL2396813 0.85 CCR5 (0.38) ALDH1A1KDM4ETSHRGHSRHTT
SCHEMBL1936263 0.84 CACNA2D1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CGHSR
SCHEMBL2395185 0.84 HTR1D (0.32) ALDH1A1HTR1DHTR1BKDM4ECACNA2D1
SCHEMBL1936656 0.83 HTR2A (0.34) ALDH1A1KDM4ECACNA2D1CACNA1BCACNB1
SCHEMBL1935981 0.83 HTR2A (0.36) ALDH1A1KDM4ECACNA2D1CACNA1BCACNB1
SCHEMBL1935963 0.82 CACNA2D1 (0.32) KDM4ECACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL1936313 0.82 NOS3 (0.32) KDM4E
SCHEMBL2394311 0.82 NOS3 (0.34) KDM4E

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-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-09-01 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-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 OPRM1 186/4885ALDH1A1 170/4885HTR1D 115/4885

“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.