SCHEMBL3612239

SCHEMBL3612239

CC1(C)CC(Oc2cccc(Br)n2)CC(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
HTR7 P34969 1/20 0.38
KCNH2 Q12809 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX5 P09917 1/20 0.33
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
RAD52 P43351 1/20 0.31
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
Hydrochloric Acid SCHEMBL3602105 0.98 GAA (0.38) GAAHTR7KCNH2SMN1; SMN2HTT
SCHEMBL3602725 0.86 GAA (0.43) GAAKCNH2SMN1; SMN2HTTSLC6A2
Hydrochloric Acid SCHEMBL3601450 0.85 GAA (0.42) GAAKCNH2SMN1; SMN2HTTSLC6A2
SCHEMBL3606599 0.82 GAA (0.39) GAAKCNH2SMN1; SMN2HTTSLC6A2
Hydrochloric Acid SCHEMBL3592346 0.81 GAA (0.38) GAAKCNH2SMN1; SMN2HTTSLC6A2
SCHEMBL31267964 0.77 KCNH2 (0.48) GAAKCNH2SMN1; SMN2HTTKDM4E
SCHEMBL31546857 0.77 SLC6A2 (0.43) HTR7KCNH2SLC6A2SLC6A4ALOX5
SCHEMBL19437904 0.77 SLC6A2 (0.43) HTR7KCNH2SLC6A2SLC6A4ALOX5
SCHEMBL3612670 0.77 KCNH2 (0.38) GAAKCNH2SMN1; SMN2HTT
SCHEMBL3597491 0.75 SMN1; SMN2 (0.38) GAAKCNH2SMN1; SMN2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2007-10-04 US claimed
EP-1761518-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP claimed
WO-2005123715-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 WO claimed
US-20100056567-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS PETERS DAN 2010-03-04 US disclosed
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors NEUROSEARCH A/S (DK) 2007-10-04 US disclosed
EP-1761518-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP disclosed
WO-2005123715-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES 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 (2 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-20100056567-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 GAA 289/4885HTR7 67/4885KCNH2 784/4885
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 GAA 289/4885HTR7 67/4885KCNH2 784/4885

“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.