SCHEMBL2397352

SCHEMBL2397352

CN1CCC(CC(=O)N(C)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.42
UTS2R Q9UKP6 1/20 0.42
CHRM3 P20309 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 5/20 0.39
OPRM1 P35372 3/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRD1 P41143 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 SCHEMBL1934781 0.93 CCR2 (0.39) OPRK1UTS2RCHRM3SLC6A2SLC6A4
SCHEMBL1936605 0.88 HTR4 (0.44) OPRK1UTS2RCHRM3SLC6A2SLC6A4
SCHEMBL2395603 0.85 CCR5 (0.41) OPRK1UTS2RCHRM3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2396854 0.84 OPRM1 (0.41) OPRK1UTS2RCHRM3SLC6A2SLC6A4
SCHEMBL1935898 0.83 SLC6A4 (0.49) CHRM3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2393607 0.83 PGR (0.43) CHRM3OPRM1TP53CCR5
Hydrochloric Acid SCHEMBL1936274 0.82 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3KCNH2
Fumaric Acid SCHEMBL1937089 0.82 HTR4 (0.40) OPRK1UTS2RCHRM3SLC6A2SLC6A4
SCHEMBL4492081 0.80 GAA (0.38) CHRM3KMT2A
Fumaric Acid SCHEMBL1936089 0.78 CCR5 (0.39) SLC6A2SLC6A4SLC6A3OPRM1TP53

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 OPRK1 304/4885UTS2R 2214/4885CHRM3 780/4885

“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.