SCHEMBL1471458

SCHEMBL1471458

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
TEAD1 P28347 1/20 0.40
NAAA Q02083 1/20 0.39
GAA P10253 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
KDM1A O60341 2/20 0.38
EPHX2 P34913 2/20 0.37
FPR2 P25090 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
LIPE Q05469 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 1/20 0.35
EZH2 Q15910 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35

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 SCHEMBL1473067 0.98 PKM (0.42) PKMMMP12MMP13TEAD1NAAA
SCHEMBL18357736 0.81 MAOA (0.41) MMP12MMP13TEAD1NAAAMAOA
SCHEMBL1471330 0.80 GAA (0.41) GAAMAOAMAOBEPHX2EZH2
SCHEMBL17287081 0.79 MMP12 (0.41) MMP12MMP13TEAD1NAAAMAOA
SCHEMBL1471237 0.78 GAA (0.44) PKMGAAEZH2
SCHEMBL27622911 0.78 GAA (0.41) PKMGAAKDM1AEPHX2EZH2
SCHEMBL1471253 0.78 SLC6A4 (0.49) MMP12MMP13GAAFPR2PROKR1
SCHEMBL451934 0.78 GAA (0.54) PKMGAAKDM1ASLC6A2SLC6A4
SCHEMBL1469673 0.77 SLC6A4 (0.40) EPHX2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1471517 0.77 SLC6A4 (0.47) MMP12MMP13GAAFPR2PROKR1

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 PKM 911/4885MMP12 3467/4885MMP13 3110/4885
US-20070167487-A1 Novel alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 PKM 911/4885MMP12 3467/4885MMP13 3110/4885
US-20110086880-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 PKM 911/4885MMP12 3467/4885MMP13 3110/4885

“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.