SCHEMBL4934110

SCHEMBL4934110

CC1CN(C)CC(C)N1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.42
SLC6A4 P31645 10/20 0.42
SLC6A3 Q01959 8/20 0.42
ABL1 P00519 5/20 0.40
CYP2D6 P10635 3/20 0.40
KCNH2 Q12809 3/20 0.40
ADRB1 P08588 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
BCL2 P10415 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
BID P55957 1/20 0.39
RAD51 Q06609 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BCL2A1 Q16548 1/20 0.39
BCL2L2 Q92843 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
SCHEMBL4940861 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ABL1CYP2D6
SCHEMBL4941676 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ABL1ADRB1
SCHEMBL4941686 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ABL1ADRB1
SCHEMBL4939157 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ABL1ADRB1
SCHEMBL4939187 0.79 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ABL1KCNH2
SCHEMBL4939192 0.79 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ABL1KCNH2
SCHEMBL4940903 0.75 ADRB1 (0.47) SLC6A2SLC6A4SLC6A3ABL1ADRB1
SCHEMBL4940899 0.75 ADRB1 (0.47) SLC6A2SLC6A4SLC6A3ABL1ADRB1
SCHEMBL22720925 0.75 ADRB1 (0.47) SLC6A2SLC6A4KCNH2ADRB1ALDH1A1
SCHEMBL20322516 0.73 RAB9A (0.38) SLC6A2SLC6A4SLC6A3ADRB1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176856-A1 Novel Alkyl Substituted Piperidine Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2008-07-24 US claimed
US-20080176856-A1 Novel Alkyl Substituted Piperidine Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2008-07-24 US disclosed
EP-1761512-A1 NOVEL ALKYL SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP disclosed
WO-2005123707-A1 NOVEL ALKYL SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 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-20080176856-A1 Novel Alkyl Substituted Piperidine Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 SLC6A2 2/4885SLC6A4 4/4885SLC6A3 5/4885

“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.