SCHEMBL16429047

SCHEMBL16429047

O=C(O)CC(O)(c1ccccc1)C1CCCCN1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.54
CYP2C19 P33261 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
CYP1A2 P05177 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HIF1A Q16665 1/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 4/20 0.39
SLC6A4 P31645 3/20 0.39
POLB P06746 1/20 0.39
CHRM2 P08172 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 3/20 0.38
KCNH2 Q12809 3/20 0.38
CHRM4 P08173 2/20 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
SCHEMBL11161473 0.79 KEAP1 (0.57) CYP2D6CYP2C19KEAP1NFE2L2HIF1A
SCHEMBL16709856 0.78 KEAP1 (0.61) CYP2D6CYP2C19KDM4ENPC1CYP1A2
SCHEMBL16709845 0.78 KEAP1 (0.61) CYP2D6CYP2C19KDM4ENPC1CYP1A2
SCHEMBL20832990 0.78 CYP2D6 (0.62) CYP2D6CYP2C19KDM4ENPC1CYP1A2
SCHEMBL16709844 0.78 KEAP1 (0.61) CYP2D6CYP2C19KDM4ENPC1CYP1A2
SCHEMBL16709855 0.78 KEAP1 (0.61) CYP2D6CYP2C19KDM4ENPC1CYP1A2
SCHEMBL20850805 0.78 KEAP1 (0.61) CYP2D6CYP2C19KDM4ENPC1CYP1A2
SCHEMBL22259913 0.78 CYP2D6 (0.62) CYP2D6CYP2C19KDM4ENPC1CYP1A2
SCHEMBL2762931 0.77 CHRM2 (0.56) CYP2D6CYP2C19KEAP1NFE2L2HIF1A
Pipradrol SCHEMBL156360 0.77 CYP2D6 (0.87) CYP2D6CYP2C19KDM4ENPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3153168-B1 PHACETOPERANE FOR TREATING ATTENTION DEFICIT HYPERACTIVITY DISORDER AND SYNTHESIS METHOD NLS PHARMA AG (CH) 2020-02-26 EP claimed
US-20220054471-A1 PHACETOPERANE FOR TREATING OF ATTENTION DEFICIT HYPERACTIVITY DISORDER NLS PHARMACEUTICS AG (CH) 2022-02-24 US disclosed
US-20200061044-A1 PHACETOPERANE FOR TREATING OF ATTENTION DEFICIT HYPERACTIVITY DISORDER ASSISTANCE PUBLIQUE - HOPITAUX DE PARIS (FR) 2020-02-27 US disclosed
US-10456387-B2 Phacetoperane for treating of attention deficit hyperactivity disorder NLS PHARMACEUTICS AG (CH) 2019-10-29 US disclosed
US-20180214436-A1 PHACETOPERANE FOR TREATING OF ATTENTION DEFICIT HYPERACTIVITY DISORDER NLS-1 PHARMA AG (CH) 2018-08-02 US disclosed
US-20150038533-A1 PHACETOPERANE FOR THE TREATMENT OF ATTENTION-DEFICIT HYPERACTIVITY DISORDER NLS PHARMA AG (CH) 2015-02-05 US 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 (5 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-20150038533-A1 PHACETOPERANE FOR THE TREATMENT OF ATTENTION-DEFICIT HYPERACTIVITY DISORDER COMT, DDT, QDPR CYP2D6 122/4885CYP2C19 301/4885KDM4E 1410/4885
US-20180214436-A1 PHACETOPERANE FOR TREATING OF ATTENTION DEFICIT HYPERACTIVITY DISORDER COMT, DDT, QDPR CYP2D6 122/4885CYP2C19 254/4885KDM4E 1372/4885
US-10456387-B2 Phacetoperane for treating of attention deficit hyperactivity disorder COMT, DDT, QDPR CYP2D6 122/4885CYP2C19 254/4885KDM4E 1372/4885
US-20200061044-A1 PHACETOPERANE FOR TREATING OF ATTENTION DEFICIT HYPERACTIVITY DISORDER COMT, DDT, QDPR CYP2D6 122/4885CYP2C19 254/4885KDM4E 1372/4885
US-20220054471-A1 PHACETOPERANE FOR TREATING OF ATTENTION DEFICIT HYPERACTIVITY DISORDER COMT, DDT, QDPR CYP2D6 122/4885CYP2C19 254/4885KDM4E 1372/4885

“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.