SCHEMBL17267474

SCHEMBL17267474

NCCCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 12/20 1.00
SLC6A4 P31645 4/20 0.82
SLC6A2 P23975 3/20 0.82
SLC6A3 Q01959 3/20 0.82
KCNK2 O95069 2/20 0.82
KCNH2 Q12809 2/20 0.82
CACNA1C Q13936 2/20 0.82
HRH3 Q9Y5N1 2/20 0.64
NPC1 O15118 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
MTOR P42345 2/20 0.64
RAB9A P51151 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 2/20 0.64
KDM4E B2RXH2 1/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64

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
SCHEMBL17267513 1.00 SLC7A5 (1.00) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL17267476 1.00 SLC7A5 (1.00) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL17267515 0.99 SLC7A5 (1.00) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
Fumaric Acid SCHEMBL17267487 0.91 SLC7A5 (0.82) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
Fumaric Acid SCHEMBL17267537 0.91 SLC7A5 (0.82) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
Fumaric Acid SCHEMBL17267490 0.91 SLC7A5 (0.82) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
Fumaric Acid SCHEMBL17267580 0.91 SLC7A5 (0.82) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
Fumaric Acid SCHEMBL17267491 0.91 SLC7A5 (0.82) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
Fumaric Acid SCHEMBL17267583 0.91 SLC7A5 (0.82) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2
Norfluoxetine SCHEMBL3750512 0.90 SLC6A4 (1.00) SLC7A5SLC6A4SLC6A2SLC6A3KCNK2

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
EP-2947066-B1 PHENOXYALKYLAMINE COMPOUND UNIV OSAKA (JP) 2018-09-19 EP disclosed
US-9771316-B2 Phenoxyalkylamine compound OSAKA UNIVERSITY (JP) 2017-09-26 US disclosed
US-9771316-B2 Phenoxyalkylamine compound OSAKA UNIVERSITY (JP) 2017-09-26 US disclosed
US-20150336876-A1 PHENOXYALKYLAMINE COMPOUND KNC LABORATORIES CO., LTD. (JP) 2015-11-26 US disclosed
US-20150336876-A1 PHENOXYALKYLAMINE COMPOUND KNC LABORATORIES CO., LTD. (JP) 2015-11-26 US disclosed
EP-2947066-A1 PHENOXYALKYLAMINE COMPOUND Osaka University (JP) 2015-11-25 EP disclosed
EP-2947066-A1 PHENOXYALKYLAMINE COMPOUND Osaka University (JP) 2015-11-25 EP 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 (1 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-20150336876-A1 PHENOXYALKYLAMINE COMPOUND LATS1, LATS2, SHC1 SLC7A5 63/4885SLC6A4 413/4885SLC6A2 240/4885

“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.