SCHEMBL1609683

SCHEMBL1609683

CN1C(C)(C)CC(NCc2ccc(Cl)c(Cl)c2)CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SIGMAR1 Q99720 5/20 0.40
KCNH2 Q12809 2/20 0.39
CYP1A2 P05177 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
SSTR3 P32745 3/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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 SCHEMBL1612125 0.99 CYP2D6 (0.40) CYP2D6CYP3A4CYP2C19CYP2C9GAA
SCHEMBL1470643 0.81 ALDH1A1 (0.59) CYP2D6CYP3A4CYP2C19CYP2C9GAA
SCHEMBL11161937 0.77 CARM1 (0.49) GAAALDH1A1NPSR1CARM1PRMT6
SCHEMBL16033868 0.76 POLB (0.53) TSHRHRH3KCNH2HTTALDH1A1
Hydrochloric Acid SCHEMBL18130662 0.75 POLB (0.56) CYP2D6CYP2C19CYP2C9TSHRHRH3
SCHEMBL1566745 0.73 POLB (0.64) TSHRHRH3HTTALDH1A1NPSR1
SCHEMBL18768921 0.73 POLB (0.59) HRH3HTTALDH1A1NPSR1PRMT5
SCHEMBL18742079 0.72 POLB (0.62) HRH3HTTALDH1A1NPSR1PRMT5
SCHEMBL18768842 0.72 POLB (0.62) HRH3HTTALDH1A1NPSR1PRMT5
SCHEMBL18768922 0.72 POLB (0.62) HRH3HTTALDH1A1NPSR1PRMT5

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 10 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-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-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 CYP2D6 343/4885CYP3A4 648/4885CYP2C19 389/4885
US-20070167487-A1 Novel alkyl substituted piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 CYP2D6 343/4885CYP3A4 648/4885CYP2C19 389/4885
US-20110086880-A1 NOVEL ALKYL SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 CYP2D6 343/4885CYP3A4 648/4885CYP2C19 389/4885

“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.