SCHEMBL4939192

SCHEMBL4939192

CC1CNCC(C)N1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.49
SLC6A4 P31645 9/20 0.49
SLC6A3 Q01959 7/20 0.49
ADRB1 P08588 1/20 0.47
HTR2A P28223 4/20 0.47
HTR2C P28335 4/20 0.47
HTR2B P41595 4/20 0.47
KCNH2 Q12809 2/20 0.47
ABL1 P00519 4/20 0.40

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
SCHEMBL4939187 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ADRB1HTR2A
SCHEMBL29327433 0.79 HTR2A (0.43) SLC6A4ADRB1HTR2AHTR2CHTR2B
SCHEMBL7241254 0.79 OPRM1 (0.54) SLC6A2SLC6A4SLC6A3ADRB1KCNH2
SCHEMBL4940861 0.79 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ADRB1KCNH2
SCHEMBL4934110 0.79 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ADRB1KCNH2
SCHEMBL23777634 0.77 HTR2A (0.50) SLC6A4ADRB1HTR2AHTR2CHTR2B
SCHEMBL25144858 0.77 HTR2A (0.50) SLC6A4ADRB1HTR2AHTR2CHTR2B
SCHEMBL5631570 0.77 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3ADRB1HTR2A
SCHEMBL5631575 0.77 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3ADRB1HTR2A
SCHEMBL5632277 0.77 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3ADRB1HTR2A

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.