SCHEMBL3397803

SCHEMBL3397803

NC(=O)Cc1ccc(Br)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 2/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HPGD P15428 1/20 0.41
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CA P42336 1/20 0.38

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
SCHEMBL3398739 0.85 CA2 (0.47) CA2ALDH1A1LMNAPOLBHSP90AA1
SCHEMBL5145636 0.83 CA2 (0.65) CA2ALDH1A1MEN1LMNAKMT2A
SCHEMBL30021070 0.83 CA2 (0.65) CA2ALDH1A1MEN1LMNAKMT2A
SCHEMBL1029174 0.82 SLC6A4 (0.54) CA2LMNAKMT2APOLBHSP90AA1
SCHEMBL3392851 0.82 CA2 (0.52) CA2ALDH1A1MEN1LMNAKMT2A
SCHEMBL27741777 0.81 KMT2A (0.45) CA2ALDH1A1MEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL5385069 0.81 CA2 (0.50) CA2ALDH1A1MEN1LMNAKMT2A
SCHEMBL5678648 0.79 CA2 (0.70) CA2LMNAGAAPOLBKDM4E
SCHEMBL2130637 0.79 HSP90AA1 (0.44) CA2ALDH1A1MEN1LMNAKMT2A
SCHEMBL2130632 0.79 HSP90AA1 (0.44) CA2ALDH1A1MEN1LMNAKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US claimed
EP-2245011-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-03 EP claimed
WO-2009090173-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-07-23 WO claimed
US-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-03-03 US disclosed
EP-2245011-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2010-11-03 EP disclosed
WO-2009090173-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-07-23 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-20110053985-A1 NOVEL PIPERIDINE-4-CARBOXYLIC ACID PHENYL-ALKYL-AMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 CA2 2007/4885ALDH1A1 452/4885MEN1 3509/4885

“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.