SCHEMBL2396429

SCHEMBL2396429

CCN(C(=O)CC1CCN(C)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 2/20 0.42
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
GHSR Q92847 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
OPRM1 P35372 2/20 0.38
CXCR2 P25025 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC18A3 Q16572 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ABCB11 O95342 1/20 0.35
CHRM2 P08172 1/20 0.35

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 SCHEMBL1934763 0.94 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRDRD2DRD3
SCHEMBL2396105 0.89 ALDH1A1 (0.35) ALDH1A1KDM4ETSHRDRD2DRD3
SCHEMBL2399018 0.86 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRDRD2DRD3
SCHEMBL2398246 0.84 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3OPRK1CHRM1
Hydrochloric Acid SCHEMBL2397591 0.83 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3OPRK1CHRM1
Fumaric Acid SCHEMBL2395183 0.83 HRH1 (0.36) ALDH1A1KDM4ETSHRDRD2SLC6A2
SCHEMBL2394055 0.81 CYP3A4 (0.40) TSHRPOLBHTR2A
SCHEMBL1936794 0.81 ALDH1A1 (0.64) ALDH1A1KDM4ETSHRHPGDHTR2A
SCHEMBL2395354 0.81 LMNA (0.40) KDM4ETSHROPRM1HTR2A
Fumaric Acid SCHEMBL2396770 0.81 HRH1 (0.39) ALDH1A1KDM4EDRD2OPRM1HPGD

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 ALDH1A1 170/4885KDM4E 747/4885TSHR 1710/4885

“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.