SCHEMBL1471237

SCHEMBL1471237

CC1(C)CC(Oc2ccc(O)cc2)CC(C)(C)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.38
KCNH2 Q12809 2/20 0.38
EZH2 Q15910 1/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.37
XBP1 P17861 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
CSF1R P07333 1/20 0.36
FLT3 P36888 1/20 0.36
ESR2 Q92731 2/20 0.35
ESR1 P03372 1/20 0.35
TSHR P16473 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
PKM P14618 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL1471330 0.84 GAA (0.41) GAASMN1; SMN2EZH2MAPTKMT2A
SCHEMBL27622911 0.82 GAA (0.41) GAASMN1; SMN2KCNH2EZH2HTT
SCHEMBL1471253 0.82 SLC6A4 (0.49) GAAEZH2MEN1KMT2ACSF1R
SCHEMBL451934 0.81 GAA (0.54) GAAEZH2HTTMAPTMEN1
Hydrochloric Acid SCHEMBL1471517 0.81 SLC6A4 (0.47) GAAEZH2MEN1KMT2ACSF1R
SCHEMBL4237915 0.80 ALDH1A1 (0.55) GAAEZH2
SCHEMBL17931233 0.79 GAA (0.41) GAAEZH2MAPTMEN1KMT2A
SCHEMBL1471458 0.78 PKM (0.43) GAAEZH2PKM
SCHEMBL4237757 0.78 HRH3 (0.53) GAAKCNH2EZH2
Hydrochloric Acid SCHEMBL1473067 0.77 PKM (0.42) GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215820-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2009-08-27 US claimed
US-7547788-B2 Alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2009-06-16 US claimed
US-20070167487-A1 Novel alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors ANIONA APS (DK) 2007-07-19 US claimed
EP-1761493-A2 ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP claimed
WO-2005123679-A2 ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2005-12-29 WO claimed
US-20110086880-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS PETERS DAN 2011-04-14 US disclosed
US-7915419-B2 Alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-03-29 US disclosed
US-20090215820-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2009-08-27 US disclosed
US-7547788-B2 Alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2009-06-16 US disclosed
US-20070167487-A1 Novel alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors ANIONA APS (DK) 2007-07-19 US disclosed
EP-1761493-A2 ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-03-14 EP disclosed
WO-2005123679-A2 ALKYL SUBSTITUTED PIPERIDINE 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 (3 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-20090215820-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 GAA 286/4885SMN1; SMN2 1961/4885KCNH2 845/4885
US-20070167487-A1 Novel alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 GAA 286/4885SMN1; SMN2 1961/4885KCNH2 845/4885
US-20110086880-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 GAA 286/4885SMN1; SMN2 1961/4885KCNH2 845/4885

“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.