SCHEMBL2394311

SCHEMBL2394311

CCN(C(=O)C(/C(=C\C(=O)O)C(=O)O)C1CCN(C)CC1)c1ccc(Br)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PGR P06401 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1936313 0.93 NOS3 (0.32) NOS3NOS1NOS2KDM4E
SCHEMBL1937052 0.92 NOS3 (0.32) NOS3NOS1NOS2KDM4E
SCHEMBL1936566 0.89 SLC6A4 (0.35)
SCHEMBL1936263 0.86 CACNA2D1 (0.38)
SCHEMBL2396813 0.85 CCR5 (0.38) KDM4E
SCHEMBL1935963 0.84 CACNA2D1 (0.32) KDM4E
SCHEMBL1936090 0.84 TP53 (0.35) PGRKDM4E
SCHEMBL2410809 0.83 KDM2B (0.40)
SCHEMBL1936591 0.83 HRH3 (0.39)
SCHEMBL1935943 0.82 TP53 (0.38)

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 NOS3 852/4885NOS1 704/4885NOS2 494/4885

“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.