SCHEMBL4941676

SCHEMBL4941676

C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 4/20 0.40
MMP2 P08253 3/20 0.38
ADAMTS5 Q9UNA0 3/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP14 P50281 1/20 0.38
ABL1 P00519 5/20 0.38
ADRB1 P08588 1/20 0.38
MMP13 P45452 1/20 0.37

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
SCHEMBL4939157 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MMP2ADAMTS5
SCHEMBL4941686 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MMP2ADAMTS5
SCHEMBL25261783 0.81 MYC (0.50) MMP2ADAMTS5ADAMTS4MMP14
SCHEMBL25259330 0.81 MYC (0.38) SLC6A4MMP2ADAMTS5ADAMTS4MMP14
SCHEMBL4940440 0.81 DRD2 (0.40) MMP2ADAMTS5MMP14
SCHEMBL4940436 0.81 DRD2 (0.40) MMP2ADAMTS5MMP14
SCHEMBL4940861 0.79 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ABL1ADRB1
SCHEMBL4934110 0.79 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ABL1ADRB1
SCHEMBL4937131 0.75 HTR3A (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL4932948 0.75 HTR3A (0.46) SLC6A2SLC6A4SLC6A3

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-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
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 claimed
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 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.