SCHEMBL3597491

SCHEMBL3597491

COc1nc(OC2CC(C)(C)NC(C)(C)C2)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
KCNH2 Q12809 2/20 0.38
HTT P42858 1/20 0.36
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.31
SGK1 O00141 2/20 0.30

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 SCHEMBL3601390 0.99 SMN1; SMN2 (0.37) SMN1; SMN2KCNH2HTTGAAALDH1A1
SCHEMBL3602760 0.89 SMN1; SMN2 (0.35) SMN1; SMN2KCNH2HTTGAAALDH1A1
Hydrochloric Acid SCHEMBL3605165 0.88 SMN1; SMN2 (0.35) SMN1; SMN2KCNH2HTTGAAALDH1A1
SCHEMBL3612670 0.82 KCNH2 (0.38) SMN1; SMN2KCNH2HTTGAA
Hydrochloric Acid SCHEMBL3602587 0.81 KCNH2 (0.38) SMN1; SMN2KCNH2HTTGAA
SCHEMBL30602397 0.77 MBOAT4 (0.38)
SCHEMBL29131007 0.77 MBOAT4 (0.38)
SCHEMBL3602725 0.77 GAA (0.43) SMN1; SMN2KCNH2HTTGAAALDH1A1
Hydrochloric Acid SCHEMBL3601450 0.75 GAA (0.42) SMN1; SMN2KCNH2HTTGAAALDH1A1
SCHEMBL3612239 0.75 GAA (0.39) SMN1; SMN2KCNH2HTTGAAALDH1A1

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 SMN1; SMN2 1893/4885KCNH2 784/4885HTT 335/4885
US-20070232659-A1 Novel Alkyl Substituted Piperidine Derivatives as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 SMN1; SMN2 1893/4885KCNH2 784/4885HTT 335/4885

“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.