SCHEMBL2393607

SCHEMBL2393607

CCCN(C(=O)CC1CCN(C)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.43
CCR5 P51681 11/20 0.42
TP53 P04637 2/20 0.40
OPRM1 P35372 1/20 0.39
ACHE P22303 1/20 0.39
CHRM3 P20309 1/20 0.39

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
Fumaric Acid SCHEMBL1936089 0.94 CCR5 (0.39) PGRCCR5TP53OPRM1ACHE
SCHEMBL2395603 0.91 CCR5 (0.41) PGRCCR5OPRM1CHRM3
Hydrochloric Acid SCHEMBL2396854 0.89 OPRM1 (0.41) PGRCCR5OPRM1CHRM3
SCHEMBL3364749 0.89 ACHE (0.43) PGRCCR5TP53OPRM1ACHE
SCHEMBL2394314 0.85 SLC6A4 (0.46) TP53CHRM3
Fumaric Acid SCHEMBL1936521 0.83 ACHE (0.41) PGRCCR5TP53OPRM1ACHE
SCHEMBL2397352 0.83 OPRK1 (0.42) CCR5TP53OPRM1CHRM3
SCHEMBL2395364 0.83 CCR5 (0.46) CCR5OPRM1
SCHEMBL3038014 0.81 OPRD1 (0.43) CCR5OPRM1ACHECHRM3
SCHEMBL1934810 0.81 PGR (0.39) PGRCCR5OPRM1ACHE

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 3 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 claimed
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
WO-2010023197-A2 NOVEL PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-03-04 WO 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 PGR 2155/4885CCR5 2539/4885TP53 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.